data_438-MOF _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C24 H27 Dy3 N6 O12' _chemical_formula_weight 1079.02 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Dy' 'Dy' -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Cubic _symmetry_space_group_name_H-M I-43m loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'y, -x, -z' '-x, -y, z' '-y, x, -z' '-x, z, -y' 'x, -y, -z' '-x, -z, y' '-z, -y, x' '-x, y, -z' 'z, -y, -x' 'z, x, y' 'y, z, x' '-y, -z, x' 'z, -x, -y' '-y, z, -x' '-z, -x, y' '-z, x, -y' 'y, -z, -x' '-y, -x, z' 'y, x, z' 'x, -z, -y' 'x, z, y' '-z, y, -x' 'z, y, x' 'x+1/2, y+1/2, z+1/2' 'y+1/2, -x+1/2, -z+1/2' '-x+1/2, -y+1/2, z+1/2' '-y+1/2, x+1/2, -z+1/2' '-x+1/2, z+1/2, -y+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, -z+1/2, y+1/2' '-z+1/2, -y+1/2, x+1/2' '-x+1/2, y+1/2, -z+1/2' 'z+1/2, -y+1/2, -x+1/2' 'z+1/2, x+1/2, y+1/2' 'y+1/2, z+1/2, x+1/2' '-y+1/2, -z+1/2, x+1/2' 'z+1/2, -x+1/2, -y+1/2' '-y+1/2, z+1/2, -x+1/2' '-z+1/2, -x+1/2, y+1/2' '-z+1/2, x+1/2, -y+1/2' 'y+1/2, -z+1/2, -x+1/2' '-y+1/2, -x+1/2, z+1/2' 'y+1/2, x+1/2, z+1/2' 'x+1/2, -z+1/2, -y+1/2' 'x+1/2, z+1/2, y+1/2' '-z+1/2, y+1/2, -x+1/2' 'z+1/2, y+1/2, x+1/2' _cell_length_a 39.5241(8) _cell_length_b 39.5241(8) _cell_length_c 39.5241(8) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 61743(2) _cell_formula_units_Z 12 _cell_measurement_temperature 294(2) _cell_measurement_reflns_used 8706 _cell_measurement_theta_min 3.8711 _cell_measurement_theta_max 38.9394 _exptl_crystal_description Block _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.26 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 0.348 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 6084 _exptl_absorpt_coefficient_mu 5.830 _exptl_absorpt_correction_type Multi-Scan _exptl_absorpt_correction_T_min 0.2570 _exptl_absorpt_correction_T_max 0.3125 _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_special_details ; ? ; _diffrn_ambient_temperature 294(2) _diffrn_radiation_wavelength 1.54184 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'Enhance (Cu) X-ray Source' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Xcalibur, Eos, Gemini' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 28247 _diffrn_reflns_av_R_equivalents 0.0649 _diffrn_reflns_av_sigmaI/netI 0.0455 _diffrn_reflns_limit_h_min -30 _diffrn_reflns_limit_h_max 31 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 3.87 _diffrn_reflns_theta_max 38.98 _reflns_number_total 3154 _reflns_number_gt 2155 _reflns_threshold_expression >2sigma(I) _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) ; _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET) (compiled Jan 23 2012,18:06:46) ; _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)' _computing_molecular_graphics 'SHELXTL (Sheldrick, 2008)' _computing_publication_material 'SHELXTL and PLATON (Spek, 2009)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.12(3) _refine_ls_number_reflns 3154 _refine_ls_number_parameters 260 _refine_ls_number_restraints 432 _refine_ls_R_factor_all 0.1144 _refine_ls_R_factor_gt 0.0924 _refine_ls_wR_factor_ref 0.2795 _refine_ls_wR_factor_gt 0.2584 _refine_ls_goodness_of_fit_ref 1.072 _refine_ls_restrained_S_all 1.084 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Dy1 Dy 0.75035(4) 0.24965(4) 0.24965(4) 0.0800(6) Uani 1 6 d SU . . Dy2 Dy 0.68769(5) 0.68769(5) 0.31231(5) 0.1771(15) Uani 1 6 d SU . . Dy3 Dy 0.68769(5) 0.31231(5) 0.31231(5) 0.1573(13) Uani 1 6 d SU . . Dy4 Dy 1.0000 0.44876(5) 0.0000 0.1625(9) Uani 1 4 d SU . . C1 C 0.74185(16) 0.3334(3) 0.25815(16) 0.083(5) Uani 0.50 2 d SPDU . . C2 C 0.7605(3) 0.3603(2) 0.2395(3) 0.077(5) Uani 0.50 2 d SPGU . . C3 C 0.7791(4) 0.3513(2) 0.2098(3) 0.074(6) Uani 0.25 1 d PRDU . . H3 H 0.7801 0.3281 0.2028 0.089 Uiso 0.25 1 d PR . . C4 C 0.7963(7) 0.3760(3) 0.1915(5) 0.067(6) Uani 0.25 1 d PRDU . . H4 H 0.8085 0.3706 0.1713 0.080 Uiso 0.25 1 d PR . . C5 C 0.7947(7) 0.4098(3) 0.2053(5) 0.051(5) Uani 0.50 2 d SPRU . . C6 C 0.7763(6) 0.4186(2) 0.2302(4) 0.058(6) Uani 0.25 1 d PRDU . . H6 H 0.7744 0.4420 0.2364 0.070 Uiso 0.25 1 d PR . . C7 C 0.7591(4) 0.3940(2) 0.24848(19) 0.068(6) Uani 0.25 1 d PGDU . . H7 H 0.7463 0.4002 0.2682 0.081 Uiso 0.25 1 d PR . . C8 C 0.75223(12) 0.6779(2) 0.24777(12) 0.094(5) Uani 0.50 2 d SPDU . . C9 C 0.75774(11) 0.6402(2) 0.24227(16) 0.075(5) Uani 0.50 2 d SPGDU . . C10 C 0.7672(3) 0.6283(2) 0.21061(14) 0.072(6) Uani 0.25 1 d PGDU . . H10 H 0.7701 0.6443 0.1928 0.086 Uiso 0.25 1 d PR . . C11 C 0.7722(4) 0.5939(2) 0.20558(8) 0.066(6) Uani 0.25 1 d PGDU . . H11 H 0.7787 0.5861 0.1838 0.079 Uiso 0.25 1 d PR . . C12 C 0.7678(2) 0.5714(2) 0.2322(2) 0.062(5) Uani 0.50 2 d SPGDU . . C13 C 0.7584(3) 0.5833(2) 0.26395(8) 0.067(6) Uani 0.25 1 d PGDU . . H13 H 0.7554 0.5674 0.2823 0.080 Uiso 0.25 1 d PR . . C14 C 0.7533(3) 0.6177(2) 0.26897(14) 0.069(6) Uani 0.25 1 d PGDU . . H14 H 0.7467 0.6255 0.2913 0.083 Uiso 0.25 1 d PR . . C15 C 0.95321(14) 0.4987(2) 0.04679(14) 0.068(5) Uani 0.50 2 d SPDU . . C16 C 0.92696(14) 0.5093(2) 0.07292(9) 0.062(5) Uani 0.50 2 d SPGDU . . C17 C 0.9154(2) 0.5425(2) 0.07388(11) 0.066(6) Uani 0.25 1 d PGDU . . H17 H 0.9229 0.5590 0.0556 0.079 Uiso 0.25 1 d PR . . C18 C 0.8916(3) 0.5519(2) 0.09792(12) 0.072(6) Uani 0.25 1 d PGDU . . H18 H 0.8839 0.5750 0.0976 0.086 Uiso 0.25 1 d PR . . C19 C 0.8792(2) 0.5282(3) 0.1208(2) 0.058(5) Uani 0.50 2 d SPGDU . . C20 C 0.8907(2) 0.4950(2) 0.11947(14) 0.048(6) Uani 0.25 1 d PGDU . . H20 H 0.8831 0.4783 0.1334 0.057 Uiso 0.25 1 d PR . . C21 C 0.91461(19) 0.4855(2) 0.09544(17) 0.050(6) Uani 0.25 1 d PGDU . . H21 H 0.9221 0.4625 0.0914 0.060 Uiso 0.25 1 d PR . . C22 C 0.8257(4) 0.5222(3) 0.1561(4) 0.036(6) Uani 0.25 1 d PGU . . C23 C 0.7963(6) 0.5155(4) 0.2090(5) 0.050(6) Uani 0.25 1 d PGU . . C24 C 0.8193(4) 0.4668(3) 0.1807(4) 0.055(5) Uani 0.50 2 d SPGDU . . N1 N 0.77278(19) 0.5374(3) 0.22722(19) 0.060(5) Uani 0.50 2 d SPDU . . H1 H 0.7559 0.5251 0.2355 0.072 Uiso 0.25 1 d PR . . N2 N 0.8144(3) 0.4331(3) 0.1856(3) 0.073(5) Uani 0.50 2 d SPDU . . H2 H 0.8288 0.4228 0.1712 0.088 Uiso 0.50 2 d SPR . . N3 N 0.8556(2) 0.5375(4) 0.1444(2) 0.056(5) Uani 0.50 2 d SPDU . . H3A H 0.8585 0.5578 0.1545 0.067 Uiso 0.25 1 d PR . . N4 N 0.8018(6) 0.4808(4) 0.2076(3) 0.057(6) Uani 0.25 1 d PGU . . N5 N 0.8082(6) 0.5362(3) 0.1832(6) 0.046(6) Uani 0.25 1 d PGU . . N6 N 0.8312(4) 0.4875(4) 0.1547(2) 0.033(6) Uani 0.25 1 d PGU . . O1 O 0.7505(2) 0.3048(3) 0.2495(2) 0.075(5) Uani 0.50 2 d SPDU . . O2 O 0.72020(17) 0.3390(5) 0.27980(17) 0.119(6) Uani 0.50 2 d SPDU . . O3 O 0.73022(15) 0.6781(6) 0.26978(15) 0.108(5) Uani 0.50 2 d SPDU . . O4 O 0.7730(4) 0.7009(4) 0.2444(6) 0.078(7) Uani 0.25 1 d PDU . . O5 O 0.9580(2) 0.4684(2) 0.0420(2) 0.080(5) Uani 0.50 2 d SPDU . . O6 O 0.96803(17) 0.5214(3) 0.03197(17) 0.043(5) Uani 0.50 2 d SPDU . . O7 O 0.6460(4) 0.2996(7) 0.3540(4) 0.294(9) Uani 1 2 d SU . . O8 O 0.6537(3) 0.7309(5) 0.3463(3) 0.213(7) Uani 1 2 d SU . . O9 O 0.9997(10) 0.4045(5) -0.0317(5) 0.210(7) Uani 0.50 1 d PU . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Dy1 0.0800(6) 0.0800(6) 0.0800(6) -0.0006(6) 0.0006(6) 0.0006(6) Dy2 0.1771(15) 0.1771(15) 0.1771(15) 0.0146(15) 0.0146(15) -0.0146(15) Dy3 0.1573(13) 0.1573(13) 0.1573(13) -0.0050(15) 0.0050(15) 0.0050(15) Dy4 0.1817(13) 0.1243(16) 0.1817(13) 0.000 0.010(3) 0.000 C1 0.086(6) 0.077(6) 0.086(6) 0.002(4) -0.029(7) -0.002(4) C2 0.082(6) 0.068(6) 0.082(6) -0.005(4) -0.017(7) 0.005(4) C3 0.077(11) 0.061(8) 0.085(9) -0.004(7) -0.011(8) -0.001(8) C4 0.071(11) 0.060(7) 0.069(10) -0.008(7) -0.011(8) 0.006(8) C5 0.050(7) 0.054(7) 0.050(7) 0.000(4) -0.009(7) 0.000(4) C6 0.055(10) 0.060(8) 0.059(9) 0.001(7) -0.003(7) 0.004(8) C7 0.067(11) 0.070(7) 0.066(10) 0.003(7) 0.002(8) 0.000(8) C8 0.101(6) 0.082(6) 0.101(6) 0.001(5) -0.035(7) -0.001(5) C9 0.076(7) 0.075(6) 0.076(7) 0.009(4) -0.017(8) -0.009(4) C10 0.065(12) 0.072(7) 0.079(8) 0.017(7) -0.002(9) -0.002(9) C11 0.064(12) 0.067(7) 0.066(8) 0.008(6) -0.014(9) -0.005(9) C12 0.064(7) 0.057(6) 0.064(7) -0.001(4) 0.002(8) 0.001(4) C13 0.062(12) 0.070(7) 0.068(8) 0.000(6) 0.002(9) 0.004(9) C14 0.068(12) 0.072(7) 0.069(8) -0.005(6) 0.003(9) 0.000(9) C15 0.061(6) 0.082(8) 0.061(6) 0.018(4) -0.014(6) -0.018(4) C16 0.056(6) 0.074(8) 0.056(6) 0.017(4) -0.009(6) -0.017(4) C17 0.064(10) 0.072(7) 0.061(10) 0.012(7) 0.000(8) -0.015(8) C18 0.073(10) 0.076(8) 0.065(10) 0.013(7) 0.004(8) -0.008(8) C19 0.059(6) 0.058(8) 0.059(6) 0.000(4) 0.012(7) 0.000(4) C20 0.042(10) 0.052(8) 0.050(9) -0.009(8) -0.002(7) -0.002(8) C21 0.046(10) 0.053(8) 0.052(10) -0.001(7) -0.006(7) -0.003(8) C22 0.035(9) 0.037(7) 0.036(9) -0.014(7) -0.008(7) 0.005(7) C23 0.054(10) 0.046(7) 0.050(9) 0.003(7) 0.005(8) -0.012(8) C24 0.056(7) 0.054(6) 0.056(7) -0.003(4) 0.002(8) 0.003(4) N1 0.062(6) 0.057(6) 0.062(6) 0.009(4) 0.015(7) -0.009(4) N2 0.078(7) 0.063(6) 0.078(7) 0.003(4) 0.012(7) -0.003(4) N3 0.061(6) 0.046(8) 0.061(6) -0.001(4) 0.014(6) 0.001(4) N4 0.063(10) 0.055(6) 0.055(9) 0.013(7) 0.010(8) -0.004(8) N5 0.049(9) 0.043(8) 0.045(9) -0.001(6) 0.010(7) 0.003(8) N6 0.017(10) 0.042(6) 0.042(9) -0.013(6) -0.005(8) -0.007(7) O1 0.075(6) 0.077(5) 0.075(6) 0.009(4) -0.006(8) -0.009(4) O2 0.122(6) 0.113(10) 0.122(6) -0.012(4) 0.003(7) 0.012(4) O3 0.110(6) 0.103(10) 0.110(6) -0.002(4) -0.026(6) 0.002(4) O4 0.093(10) 0.058(8) 0.082(12) -0.014(8) -0.021(8) 0.016(7) O5 0.082(6) 0.075(6) 0.082(6) 0.025(4) -0.020(7) -0.025(4) O6 0.037(6) 0.056(7) 0.037(6) -0.011(4) 0.004(6) 0.011(4) O7 0.296(10) 0.290(17) 0.296(10) 0.002(8) 0.155(11) -0.002(8) O8 0.208(9) 0.223(13) 0.208(9) 0.003(6) 0.074(11) -0.003(6) O9 0.216(11) 0.199(9) 0.214(10) -0.053(7) 0.010(9) 0.008(9) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Dy1 O4 2.15(2) 33_645 ? Dy1 O4 2.15(2) 48_544 ? Dy1 O4 2.15(2) 31_654 ? Dy1 O4 2.15(2) 37_654 ? Dy1 O4 2.15(2) 35_544 ? Dy1 O4 2.15(2) 28_645 ? Dy1 O1 2.180(12) 15_656 ? Dy1 O1 2.180(12) 16_665 ? Dy1 O1 2.180(12) . ? Dy1 C8 2.841(8) 33_645 ? Dy1 C8 2.841(8) 31_654 ? Dy1 C8 2.841(8) 28_645 ? Dy2 O3 2.407(10) . ? Dy2 O3 2.407(9) 18_566 ? Dy2 O3 2.407(10) 17_656 ? Dy2 O8 2.56(2) 17_656 ? Dy2 O8 2.56(2) . ? Dy2 O8 2.56(2) 18_566 ? Dy3 O2 2.101(15) 15_656 ? Dy3 O2 2.101(15) . ? Dy3 O2 2.101(15) 16_665 ? Dy3 O7 2.38(2) 16_665 ? Dy3 O7 2.38(2) 15_656 ? Dy3 O7 2.38(2) . ? Dy4 O6 2.142(9) 6_565 ? Dy4 O6 2.142(9) 3_765 ? Dy4 O9 2.152(19) 24_654 ? Dy4 O9 2.15(2) . ? Dy4 O9 2.15(2) 9_755 ? Dy4 O9 2.15(2) 23_656 ? Dy4 O5 2.471(11) . ? Dy4 O5 2.471(11) 9_755 ? C2 C7 1.377(3) . ? C2 C7 1.377(4) 23_656 ? C2 C3 1.429(10) . ? C2 C3 1.429(11) 23_656 ? C2 C1 1.489(12) . ? C7 C7 0.42(3) 23_656 ? C7 C6 1.3902 . ? C7 C6 1.444(15) 23_656 ? C7 H7 0.9600 . ? C6 C6 0.36(4) 23_656 ? C6 C5 1.2727 . ? C6 C7 1.444(6) 23_656 ? C6 H6 0.9598 . ? C5 C6 1.273(7) 23_656 ? C5 N2 1.438(12) . ? C5 C4 1.4439 . ? C5 C4 1.443(15) 23_656 ? C4 C4 0.68(6) 23_656 ? C4 C3 1.3896 . ? C4 C3 1.534(16) 23_656 ? C4 H4 0.9593 . ? C3 C3 0.62(4) 23_656 ? C3 C4 1.53(3) 23_656 ? C3 H3 0.9599 . ? C8 O3 1.230(6) . ? C8 O4 1.233(6) . ? C8 O4 1.233(6) 23_656 ? C8 C9 1.518(7) . ? C8 Dy1 2.841(8) 26_565 ? O1 C1 1.230(6) . ? C24 N2 1.357(9) . ? C24 N4 1.382(14) 23_656 ? C24 N4 1.382(13) . ? C24 N6 1.397(12) . ? C24 N6 1.397(12) 23_656 ? N4 N4 0.53(4) 23_656 ? N4 C23 1.3900 . ? N4 C23 1.444(15) 23_656 ? C23 C23 0.29(5) 23_656 ? C23 N5 1.338(11) 23_656 ? C23 N5 1.3900 . ? C23 N4 1.444(12) 23_656 ? C23 N1 1.460(17) . ? N5 N5 0.48(4) 23_656 ? N5 C23 1.338(11) 23_656 ? N5 C22 1.3900 . ? N5 C22 1.557(14) 23_656 ? C22 C22 1.02(3) 23_656 ? C22 N6 1.3900 . ? C22 N3 1.408(18) . ? C22 N5 1.56(3) 23_656 ? C22 N6 1.654(15) 23_656 ? N6 N6 0.79(3) 23_656 ? N6 C22 1.654(17) 23_656 ? O2 C1 1.230(6) . ? C12 N1 1.371(12) . ? C12 C11 1.388(11) 23_656 ? C12 C13 1.392(8) . ? C12 C11 1.388(7) . ? C12 C13 1.392(11) 23_656 ? C13 C13 1.25(2) 23_656 ? C13 C14 1.3900 . ? C13 C14 1.867(15) 23_656 ? C13 H13 0.9683 . ? C14 C14 1.25(2) 23_656 ? C14 C9 1.3910 . ? C14 C13 1.867(14) 23_656 ? C14 H14 0.9710 . ? C9 C10 1.389(8) 23_656 ? C9 C10 1.3888 . ? C9 C14 1.391(11) 23_656 ? C10 C10 1.24(2) 23_656 ? C10 C11 1.3900 . ? C10 C11 1.863(15) 23_656 ? C10 H10 0.9524 . ? C11 C11 1.24(2) 23_656 ? C11 C10 1.863(13) 23_656 ? C11 H11 0.9501 . ? C19 N3 1.368(14) . ? C19 C20 1.390(3) 23_656 ? C19 C18 1.392(5) . ? C19 C20 1.3901 . ? C19 C18 1.392(5) 23_656 ? C18 C18 0.588(17) 23_656 ? C18 C17 1.3900 . ? C18 C17 1.511(5) 23_656 ? C18 H18 0.9600 . ? C17 C17 0.597(15) 23_656 ? C17 C16 1.3896 . ? C17 C18 1.511(9) 23_656 ? C17 H17 1.0182 . ? C16 C21 1.382(3) 23_656 ? C16 C21 1.3831 . ? C16 C17 1.391(4) 23_656 ? C16 C15 1.522(7) . ? C21 C21 0.562(11) 23_656 ? C21 C20 1.3900 . ? C21 C20 1.501(4) 23_656 ? C21 H21 0.9688 . ? C20 C20 0.571(12) 23_656 ? C20 C21 1.501(8) 23_656 ? C20 H20 0.9081 . ? O5 C15 1.228(6) . ? O4 O4 0.97(4) 23_656 ? O4 Dy1 2.15(2) 26_565 ? O6 C15 1.220(6) . ? O6 Dy4 2.142(9) 3_765 ? N1 C23 1.460(17) 23_656 ? N1 H1 0.8859 . ? N2 H2 0.9001 . ? N3 C22 1.408(18) 23_656 ? N3 H3A 0.9046 . ? O9 O9 1.76(6) 24_654 ? O9 O9 1.79(6) 23_656 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O4 Dy1 O4 26.1(11) 33_645 48_544 ? O4 Dy1 O4 90.7(12) 33_645 31_654 ? O4 Dy1 O4 115.9(3) 48_544 31_654 ? O4 Dy1 O4 115.9(3) 33_645 37_654 ? O4 Dy1 O4 90.7(12) 48_544 37_654 ? O4 Dy1 O4 139.3(8) 31_654 37_654 ? O4 Dy1 O4 115.9(3) 33_645 35_544 ? O4 Dy1 O4 139.3(8) 48_544 35_544 ? O4 Dy1 O4 26.1(11) 31_654 35_544 ? O4 Dy1 O4 115.9(3) 37_654 35_544 ? O4 Dy1 O4 139.3(8) 33_645 28_645 ? O4 Dy1 O4 115.9(3) 48_544 28_645 ? O4 Dy1 O4 115.9(3) 31_654 28_645 ? O4 Dy1 O4 26.1(11) 37_654 28_645 ? O4 Dy1 O4 90.7(12) 35_544 28_645 ? O4 Dy1 O1 64.5(4) 33_645 15_656 ? O4 Dy1 O1 83.6(6) 48_544 15_656 ? O4 Dy1 O1 64.5(4) 31_654 15_656 ? O4 Dy1 O1 153.8(4) 37_654 15_656 ? O4 Dy1 O1 83.6(6) 35_544 15_656 ? O4 Dy1 O1 153.8(4) 28_645 15_656 ? O4 Dy1 O1 83.6(6) 33_645 16_665 ? O4 Dy1 O1 64.5(4) 48_544 16_665 ? O4 Dy1 O1 153.8(4) 31_654 16_665 ? O4 Dy1 O1 64.5(4) 37_654 16_665 ? O4 Dy1 O1 153.8(4) 35_544 16_665 ? O4 Dy1 O1 83.6(6) 28_645 16_665 ? O1 Dy1 O1 90.2(5) 15_656 16_665 ? O4 Dy1 O1 153.8(4) 33_645 . ? O4 Dy1 O1 153.8(4) 48_544 . ? O4 Dy1 O1 83.6(6) 31_654 . ? O4 Dy1 O1 83.6(6) 37_654 . ? O4 Dy1 O1 64.5(4) 35_544 . ? O4 Dy1 O1 64.5(4) 28_645 . ? O1 Dy1 O1 90.2(5) 15_656 . ? O1 Dy1 O1 90.2(5) 16_665 . ? O4 Dy1 C8 23.8(3) 33_645 33_645 ? O4 Dy1 C8 23.8(3) 48_544 33_645 ? O4 Dy1 C8 97.3(6) 31_654 33_645 ? O4 Dy1 C8 97.3(6) 37_654 33_645 ? O4 Dy1 C8 117.2(4) 35_544 33_645 ? O4 Dy1 C8 117.2(4) 28_645 33_645 ? O1 Dy1 C8 87.8(3) 15_656 33_645 ? O1 Dy1 C8 87.8(3) 16_665 33_645 ? O1 Dy1 C8 177.2(4) . 33_645 ? O4 Dy1 C8 97.3(6) 33_645 31_654 ? O4 Dy1 C8 117.2(4) 48_544 31_654 ? O4 Dy1 C8 23.8(3) 31_654 31_654 ? O4 Dy1 C8 117.2(4) 37_654 31_654 ? O4 Dy1 C8 23.8(3) 35_544 31_654 ? O4 Dy1 C8 97.3(6) 28_645 31_654 ? O1 Dy1 C8 87.8(3) 15_656 31_654 ? O1 Dy1 C8 177.2(4) 16_665 31_654 ? O1 Dy1 C8 87.8(3) . 31_654 ? C8 Dy1 C8 94.0(2) 33_645 31_654 ? O4 Dy1 C8 117.2(4) 33_645 28_645 ? O4 Dy1 C8 97.3(6) 48_544 28_645 ? O4 Dy1 C8 117.2(4) 31_654 28_645 ? O4 Dy1 C8 23.8(3) 37_654 28_645 ? O4 Dy1 C8 97.3(6) 35_544 28_645 ? O4 Dy1 C8 23.8(3) 28_645 28_645 ? O1 Dy1 C8 177.2(4) 15_656 28_645 ? O1 Dy1 C8 87.8(3) 16_665 28_645 ? O1 Dy1 C8 87.8(3) . 28_645 ? C8 Dy1 C8 94.0(2) 33_645 28_645 ? C8 Dy1 C8 94.0(2) 31_654 28_645 ? O3 Dy2 O3 74.4(8) . 18_566 ? O3 Dy2 O3 74.4(8) . 17_656 ? O3 Dy2 O3 74.4(8) 18_566 17_656 ? O3 Dy2 O8 79.5(4) . 17_656 ? O3 Dy2 O8 79.5(4) 18_566 17_656 ? O3 Dy2 O8 147.1(7) 17_656 17_656 ? O3 Dy2 O8 147.1(7) . . ? O3 Dy2 O8 79.5(4) 18_566 . ? O3 Dy2 O8 79.5(4) 17_656 . ? O8 Dy2 O8 115.3(3) 17_656 . ? O3 Dy2 O8 79.5(4) . 18_566 ? O3 Dy2 O8 147.1(7) 18_566 18_566 ? O3 Dy2 O8 79.5(4) 17_656 18_566 ? O8 Dy2 O8 115.3(3) 17_656 18_566 ? O8 Dy2 O8 115.3(3) . 18_566 ? O2 Dy3 O2 103.9(5) 15_656 . ? O2 Dy3 O2 103.9(5) 15_656 16_665 ? O2 Dy3 O2 103.9(5) . 16_665 ? O2 Dy3 O7 86.9(6) 15_656 16_665 ? O2 Dy3 O7 86.9(6) . 16_665 ? O2 Dy3 O7 162.1(8) 16_665 16_665 ? O2 Dy3 O7 162.1(8) 15_656 15_656 ? O2 Dy3 O7 86.9(6) . 15_656 ? O2 Dy3 O7 86.9(6) 16_665 15_656 ? O7 Dy3 O7 79.3(10) 16_665 15_656 ? O2 Dy3 O7 86.9(6) 15_656 . ? O2 Dy3 O7 162.1(8) . . ? O2 Dy3 O7 86.9(6) 16_665 . ? O7 Dy3 O7 79.3(10) 16_665 . ? O7 Dy3 O7 79.3(10) 15_656 . ? O6 Dy4 O6 113.1(6) 6_565 3_765 ? O6 Dy4 O9 95.8(8) 6_565 24_654 ? O6 Dy4 O9 142.7(10) 3_765 24_654 ? O6 Dy4 O9 95.8(8) 6_565 . ? O6 Dy4 O9 142.7(10) 3_765 . ? O9 Dy4 O9 48.1(17) 24_654 . ? O6 Dy4 O9 142.7(10) 6_565 9_755 ? O6 Dy4 O9 95.8(8) 3_765 9_755 ? O9 Dy4 O9 49.2(17) 24_654 9_755 ? O9 Dy4 O9 71.3(12) . 9_755 ? O6 Dy4 O9 142.7(10) 6_565 23_656 ? O6 Dy4 O9 95.8(8) 3_765 23_656 ? O9 Dy4 O9 71.3(12) 24_654 23_656 ? O9 Dy4 O9 49.2(17) . 23_656 ? O9 Dy4 O9 48.1(17) 9_755 23_656 ? O6 Dy4 O5 80.02(14) 6_565 . ? O6 Dy4 O5 80.02(14) 3_765 . ? O9 Dy4 O5 82.4(8) 24_654 . ? O9 Dy4 O5 130.0(10) . . ? O9 Dy4 O5 82.4(8) 9_755 . ? O9 Dy4 O5 130.0(10) 23_656 . ? O6 Dy4 O5 80.02(14) 6_565 9_755 ? O6 Dy4 O5 80.02(15) 3_765 9_755 ? O9 Dy4 O5 130.0(10) 24_654 9_755 ? O9 Dy4 O5 82.4(8) . 9_755 ? O9 Dy4 O5 130.0(10) 9_755 9_755 ? O9 Dy4 O5 82.4(8) 23_656 9_755 ? O5 Dy4 O5 143.3(5) . 9_755 ? C7 C2 C3 118.2(5) . . ? C7 C2 C3 114.0(6) 23_656 . ? C7 C2 C3 114.0(5) . 23_656 ? C7 C2 C3 118.2(5) 23_656 23_656 ? C7 C2 C1 122.8(9) . . ? C7 C2 C1 122.8(10) 23_656 . ? C3 C2 C1 118.9(5) . . ? C3 C2 C1 118.9(6) 23_656 . ? C7 C7 C2 81.2(4) 23_656 . ? C7 C7 C6 88.7(5) 23_656 . ? C2 C7 C6 121.5(4) . . ? C7 C7 C6 74.2(18) 23_656 23_656 ? C2 C7 C6 117.7(8) . 23_656 ? C7 C7 H7 101.5 23_656 . ? C2 C7 H7 118.5 . . ? C6 C7 H7 120.0 . . ? C6 C7 H7 122.1 23_656 . ? C6 C6 C5 81.9(14) 23_656 . ? C6 C6 C7 91.3(11) 23_656 . ? C5 C6 C7 119.3 . . ? C6 C6 C7 74.2(9) 23_656 23_656 ? C5 C6 C7 115.5(4) . 23_656 ? C6 C6 H6 97.2 23_656 . ? C5 C6 H6 120.4 . . ? C7 C6 H6 120.3 . . ? C7 C6 H6 121.5 23_656 . ? C6 C5 N2 123.6(10) 23_656 . ? C6 C5 N2 123.6(4) . . ? C6 C5 C4 120.1(6) 23_656 . ? C6 C5 C4 124.7 . . ? N2 C5 C4 111.5(4) . . ? C6 C5 C4 124.7(5) 23_656 23_656 ? C6 C5 C4 120.2(7) . 23_656 ? N2 C5 C4 111.6(12) . 23_656 ? C4 C4 C3 88.71(15) 23_656 . ? C4 C4 C5 76.30(6) 23_656 . ? C3 C4 C5 115.6 . . ? C4 C4 C3 64.9(12) 23_656 23_656 ? C5 C4 C3 107.2(5) . 23_656 ? C4 C4 H4 103.5 23_656 . ? C3 C4 H4 121.6 . . ? C5 C4 H4 122.8 . . ? C3 C4 H4 124.7 23_656 . ? C3 C3 C4 91.29(10) 23_656 . ? C3 C3 C2 77.5(3) 23_656 . ? C4 C3 C2 120.25(7) . . ? C3 C3 C4 65(2) 23_656 23_656 ? C2 C3 C4 111.1(9) . 23_656 ? C3 C3 H3 100.1 23_656 . ? C4 C3 H3 120.1 . . ? C2 C3 H3 119.7 . . ? C4 C3 H3 122.1 23_656 . ? O3 C8 O4 122.8(12) . . ? O3 C8 O4 122.8(12) . 23_656 ? O4 C8 O4 46(2) . 23_656 ? O3 C8 C9 102.2(11) . . ? O4 C8 C9 127.7(10) . . ? O4 C8 C9 127.7(10) 23_656 . ? O3 C8 Dy1 86.6(11) . 26_565 ? C9 C8 Dy1 171.2(3) . 26_565 ? C1 O1 Dy1 156.8(11) . . ? N2 C24 N4 102.3(17) . 23_656 ? N2 C24 N4 102.3(16) . . ? N2 C24 N6 136.5(16) . . ? N4 C24 N6 113.2(6) 23_656 . ? N4 C24 N6 120.0 . . ? N2 C24 N6 136.5(17) . 23_656 ? N4 C24 N6 120.0(4) 23_656 23_656 ? N4 C24 N6 113.2(5) . 23_656 ? N4 N4 C23 85.2 23_656 . ? N4 N4 C24 79.0(5) 23_656 . ? C23 N4 C24 120.2(3) . . ? N4 N4 C23 74(2) 23_656 23_656 ? C24 N4 C23 116.4(11) . 23_656 ? C23 C23 N5 94(3) 23_656 23_656 ? C23 C23 N4 94.8(3) 23_656 . ? N5 C23 N4 119.3(3) 23_656 . ? C23 C23 N5 73.8(17) 23_656 . ? N4 C23 N5 120.0 . . ? C23 C23 N4 73.5(18) 23_656 23_656 ? N5 C23 N4 119.8(10) 23_656 23_656 ? N5 C23 N4 112.3(7) . 23_656 ? C23 C23 N1 84.3(17) 23_656 . ? N5 C23 N1 105.8(11) 23_656 . ? N4 C23 N1 134.8(13) . . ? N5 C23 N1 103.2(14) . . ? N4 C23 N1 129.9(18) 23_656 . ? N5 N5 C23 86(3) 23_656 23_656 ? N5 N5 C22 101.2(17) 23_656 . ? C23 N5 C22 118.5(6) 23_656 . ? N5 N5 C23 73.8(15) 23_656 . ? C22 N5 C23 120.0 . . ? N5 N5 C22 61.2(14) 23_656 23_656 ? C23 N5 C22 112.3(13) 23_656 23_656 ? C23 N5 C22 105.3(6) . 23_656 ? C22 C22 N6 85.19(9) 23_656 . ? C22 C22 N5 78.8(6) 23_656 . ? N6 C22 N5 120.0 . . ? C22 C22 N3 68.7(10) 23_656 . ? N6 C22 N3 106.2(12) . . ? N5 C22 N3 120.1(12) . . ? C22 C22 N5 61.2(16) 23_656 23_656 ? N6 C22 N5 114.9(6) . 23_656 ? N3 C22 N5 109.6(12) . 23_656 ? C22 C22 N6 56.9(8) 23_656 23_656 ? N5 C22 N6 109.1(4) . 23_656 ? N3 C22 N6 93.5(13) . 23_656 ? N5 C22 N6 97.1(11) 23_656 23_656 ? N6 N6 C22 94.8 23_656 . ? N6 N6 C24 73.6(4) 23_656 . ? C22 N6 C24 119.8(3) . . ? N6 N6 C22 56.9(9) 23_656 23_656 ? C24 N6 C22 104.1(8) . 23_656 ? C1 O2 Dy3 139.6(14) . . ? N1 C12 C11 120.1(8) . 23_656 ? N1 C12 C13 120.0(6) . . ? C11 C12 C13 95.7(4) 23_656 . ? N1 C12 C11 120.1(6) . . ? C11 C12 C11 53.1(8) 23_656 . ? C13 C12 C11 119.97(9) . . ? N1 C12 C13 120.0(6) . 23_656 ? C11 C12 C13 120.0(4) 23_656 23_656 ? C13 C12 C13 53.2(8) . 23_656 ? C11 C12 C13 95.7(4) . 23_656 ? C13 C13 C12 63.40(13) 23_656 . ? C13 C13 C14 90.0 23_656 . ? C12 C13 C14 119.96(12) . . ? C13 C13 C14 48.1(5) 23_656 23_656 ? C12 C13 C14 94.2(4) . 23_656 ? C13 C13 H13 116.3 23_656 . ? C12 C13 H13 119.2 . . ? C14 C13 H13 120.9 . . ? C14 C13 H13 132.7 23_656 . ? C14 C14 C13 90.0 23_656 . ? C14 C14 C9 63.40(11) 23_656 . ? C13 C14 C9 120.0 . . ? C14 C14 C13 48.1(5) 23_656 23_656 ? C9 C14 C13 94.2(3) . 23_656 ? C14 C14 H14 117.0 23_656 . ? C13 C14 H14 118.5 . . ? C9 C14 H14 121.5 . . ? C13 C14 H14 131.2 23_656 . ? C10 C9 C10 53.1(8) 23_656 . ? C10 C9 C14 95.7(4) 23_656 . ? C10 C9 C14 120.0 . . ? C10 C9 C14 120.0(4) 23_656 23_656 ? C10 C9 C14 95.7(4) . 23_656 ? C14 C9 C14 53.2(8) . 23_656 ? C10 C9 C8 120.1(3) 23_656 . ? C10 C9 C8 120.0(4) . . ? C14 C9 C8 120.0(4) . . ? C14 C9 C8 119.9(4) 23_656 . ? C10 C10 C9 63.45(17) 23_656 . ? C10 C10 C11 90.0 23_656 . ? C9 C10 C11 120.0 . . ? C10 C10 C11 48.3(5) 23_656 23_656 ? C9 C10 C11 94.3(4) . 23_656 ? C10 C10 H10 116.0 23_656 . ? C9 C10 H10 118.3 . . ? C11 C10 H10 121.7 . . ? C11 C10 H10 133.2 23_656 . ? C11 C11 C10 90.0 23_656 . ? C11 C11 C12 63.46(16) 23_656 . ? C10 C11 C12 120.1(2) . . ? C11 C11 C10 48.3(4) 23_656 23_656 ? C12 C11 C10 94.4(5) . 23_656 ? C11 C11 H11 116.8 23_656 . ? C10 C11 H11 118.9 . . ? C12 C11 H11 121.1 . . ? C10 C11 H11 131.4 23_656 . ? C8 O3 Dy2 171.5(15) . . ? N3 C19 C20 120.3(6) . 23_656 ? N3 C19 C18 119.9(4) . . ? C20 C19 C18 114.3(5) 23_656 . ? N3 C19 C20 120.3(6) . . ? C18 C19 C20 119.8(4) . . ? N3 C19 C18 119.9(4) . 23_656 ? C20 C19 C18 119.8(4) 23_656 23_656 ? C20 C19 C18 114.3(4) . 23_656 ? C18 C18 C19 77.8(3) 23_656 . ? C18 C18 C17 90.2(3) 23_656 . ? C19 C18 C17 120.05(14) . . ? C18 C18 C17 66.9(4) 23_656 23_656 ? C19 C18 C17 112.2(2) . 23_656 ? C18 C18 H18 103.4 23_656 . ? C19 C18 H18 122.5 . . ? C17 C18 H18 117.4 . . ? C17 C18 H18 121.0 23_656 . ? C17 C17 C16 77.7 23_656 . ? C17 C17 C18 89.82(17) 23_656 . ? C16 C17 C18 119.7 . . ? C17 C17 C18 66.9(7) 23_656 23_656 ? C16 C17 C18 111.9(3) . 23_656 ? C17 C17 H17 107.1 23_656 . ? C16 C17 H17 119.3 . . ? C18 C17 H17 120.7 . . ? C18 C17 H17 125.8 23_656 . ? C21 C16 C17 114.96(12) 23_656 . ? C17 C16 C21 120.5 . . ? C21 C16 C17 120.52(18) 23_656 23_656 ? C21 C16 C17 114.8(3) . 23_656 ? C21 C16 C15 119.5(4) 23_656 . ? C17 C16 C15 120.1(4) . . ? C21 C16 C15 119.4(4) . . ? C17 C16 C15 120.0(3) 23_656 . ? C21 C21 C20 90.2(5) 23_656 . ? C21 C21 C16 78.1(4) 23_656 . ? C20 C21 C16 119.8 . . ? C21 C21 C20 67.8(4) 23_656 23_656 ? C16 C21 C20 112.5(2) . 23_656 ? C20 C20 C21 89.8(4) 23_656 . ? C20 C20 C19 78.2(3) 23_656 . ? C21 C20 C19 120.1(3) . . ? C20 C20 C21 67.8(6) 23_656 23_656 ? C20 C20 H20 101.0 23_656 . ? C21 C20 H20 116.5 . . ? C19 C20 H20 123.4 . . ? C21 C20 H20 119.0 23_656 . ? C21 C21 H21 95.5 23_656 . ? C20 C21 H21 124.8 . . ? C16 C21 H21 115.1 . . ? C20 C21 H21 124.5 23_656 . ? C19 C20 C21 112.8(4) . 23_656 ? C15 O5 Dy4 121.0(8) . . ? O4 O4 C8 66.8(11) 23_656 . ? O4 O4 Dy1 76.9(6) 23_656 26_565 ? C8 O4 Dy1 111.3(12) . 26_565 ? C15 O6 Dy4 166.2(9) . 3_765 ? O6 C15 O5 124.5(11) . . ? O6 C15 C16 116.9(7) . . ? O5 C15 C16 118.6(7) . . ? C12 N1 C23 137.9(11) . . ? C12 N1 C23 137.9(11) . 23_656 ? C12 N1 H1 112.1 . . ? C23 N1 H1 109.6 . . ? C23 N1 H1 106.3 23_656 . ? C24 N2 C5 141.4(14) . . ? C24 N2 H2 105.7 . . ? C5 N2 H2 113.1 . . ? C19 N3 C22 132.9(10) . 23_656 ? C19 N3 C22 132.9(11) . . ? C19 N3 H3A 117.0 . . ? C22 N3 H3A 93.0 23_656 . ? C22 N3 H3A 110.0 . . ? O1 C1 O2 123.3(12) . . ? O1 C1 C2 112.5(9) . . ? O2 C1 C2 124.2(12) . . ? O9 O9 O9 90.000(9) 24_654 23_656 ? O9 O9 Dy4 65.9(9) 24_654 . ? O9 O9 Dy4 65.4(9) 23_656 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C3 C2 C7 C7 80.5(9) . . . 23_656 ? C3 C2 C7 C7 108.0(15) 23_656 . . 23_656 ? C1 C2 C7 C7 -95.7(13) . . . 23_656 ? C7 C2 C7 C6 -83.0(7) 23_656 . . . ? C3 C2 C7 C6 -2.5(7) . . . . ? C3 C2 C7 C6 25.0(16) 23_656 . . . ? C1 C2 C7 C6 -178.8(9) . . . . ? C7 C2 C7 C6 -67(2) 23_656 . . 23_656 ? C3 C2 C7 C6 13.6(17) . . . 23_656 ? C3 C2 C7 C6 41.0(18) 23_656 . . 23_656 ? C1 C2 C7 C6 -162.7(10) . . . 23_656 ? C7 C7 C6 C6 0.0(5) 23_656 . . 23_656 ? C2 C7 C6 C6 78.8(11) . . . 23_656 ? C7 C7 C6 C5 -81.4(5) 23_656 . . . ? C2 C7 C6 C5 -2.6(4) . . . . ? C6 C7 C6 C5 -81.4(10) 23_656 . . . ? C2 C7 C6 C7 78.8(6) . . . 23_656 ? C6 C7 C6 C7 0.0(5) 23_656 . . 23_656 ? C7 C6 C5 C6 86.9(4) . . . 23_656 ? C7 C6 C5 C6 68.2(9) 23_656 . . 23_656 ? C6 C6 C5 N2 95(3) 23_656 . . . ? C7 C6 C5 N2 -178(2) . . . . ? C7 C6 C5 N2 164(3) 23_656 . . . ? C6 C6 C5 C4 -78.9(4) 23_656 . . . ? C7 C6 C5 C4 8.0 . . . . ? C7 C6 C5 C4 -10.7(11) 23_656 . . . ? C6 C6 C5 C4 -111(3) 23_656 . . 23_656 ? C7 C6 C5 C4 -24(3) . . . 23_656 ? C7 C6 C5 C4 -43(3) 23_656 . . 23_656 ? C6 C5 C4 C4 -108(2) 23_656 . . 23_656 ? C6 C5 C4 C4 -89.6(2) . . . 23_656 ? N2 C5 C4 C4 96(2) . . . 23_656 ? C6 C5 C4 C3 -26(2) 23_656 . . . ? C6 C5 C4 C3 -7.8 . . . . ? N2 C5 C4 C3 177(2) . . . . ? C4 C5 C4 C3 81.8(2) 23_656 . . . ? C6 C5 C4 C3 -50.3(19) 23_656 . . 23_656 ? C6 C5 C4 C3 -31.7(12) . . . 23_656 ? N2 C5 C4 C3 153(3) . . . 23_656 ? C4 C5 C4 C3 57.9(11) 23_656 . . 23_656 ? C4 C4 C3 C3 0.0(2) 23_656 . . 23_656 ? C5 C4 C3 C3 -74.13(9) . . . 23_656 ? C4 C4 C3 C2 76.3(3) 23_656 . . . ? C5 C4 C3 C2 2.1(3) . . . . ? C3 C4 C3 C2 76.3(4) 23_656 . . . ? C5 C4 C3 C4 -74.13(15) . . . 23_656 ? C3 C4 C3 C4 0.0(2) 23_656 . . 23_656 ? C7 C2 C3 C3 86.6(5) . . . 23_656 ? C7 C2 C3 C3 105.7(10) 23_656 . . 23_656 ? C1 C2 C3 C3 -97.0(8) . . . 23_656 ? C7 C2 C3 C4 2.5(6) . . . . ? C7 C2 C3 C4 21.6(9) 23_656 . . . ? C3 C2 C3 C4 -84.12(18) 23_656 . . . ? C1 C2 C3 C4 178.9(9) . . . . ? C7 C2 C3 C4 30(2) . . . 23_656 ? C7 C2 C3 C4 49(2) 23_656 . . 23_656 ? C3 C2 C3 C4 -57(2) 23_656 . . 23_656 ? C1 C2 C3 C4 -153.6(15) . . . 23_656 ? O4 Dy1 O1 C1 30.8(14) 33_645 . . . ? O4 Dy1 O1 C1 -30.8(14) 48_544 . . . ? O4 Dy1 O1 C1 109.4(3) 31_654 . . . ? O4 Dy1 O1 C1 -109.4(3) 37_654 . . . ? O4 Dy1 O1 C1 128.0(7) 35_544 . . . ? O4 Dy1 O1 C1 -128.0(7) 28_645 . . . ? O1 Dy1 O1 C1 45.1(3) 15_656 . . . ? O1 Dy1 O1 C1 -45.1(3) 16_665 . . . ? C8 Dy1 O1 C1 132.94(10) 31_654 . . . ? C8 Dy1 O1 C1 -132.93(11) 28_645 . . . ? N2 C24 N4 N4 -92.4(8) . . . 23_656 ? N6 C24 N4 N4 77.3(6) . . . 23_656 ? N6 C24 N4 N4 113.3(11) 23_656 . . 23_656 ? N2 C24 N4 C23 -170.2(9) . . . . ? N4 C24 N4 C23 -77.8(2) 23_656 . . . ? N6 C24 N4 C23 -0.5(8) . . . . ? N6 C24 N4 C23 35.5(11) 23_656 . . . ? N2 C24 N4 C23 -158(2) . . . 23_656 ? N4 C24 N4 C23 -65(2) 23_656 . . 23_656 ? N6 C24 N4 C23 12(2) . . . 23_656 ? N6 C24 N4 C23 48(3) 23_656 . . 23_656 ? N4 N4 C23 C23 0.0(18) 23_656 . . 23_656 ? C24 N4 C23 C23 74(2) . . . 23_656 ? N4 N4 C23 N5 -97(2) 23_656 . . 23_656 ? C24 N4 C23 N5 -23(2) . . . 23_656 ? C23 N4 C23 N5 -97(4) 23_656 . . 23_656 ? N4 N4 C23 N5 -74.1(3) 23_656 . . . ? C24 N4 C23 N5 0.2(4) . . . . ? C23 N4 C23 N5 -74(2) 23_656 . . . ? C24 N4 C23 N4 74.4(5) . . . 23_656 ? C23 N4 C23 N4 0.0(18) 23_656 . . 23_656 ? N4 N4 C23 N1 87(3) 23_656 . . . ? C24 N4 C23 N1 161(3) . . . . ? C23 N4 C23 N1 87(2) 23_656 . . . ? N4 C23 N5 N5 -93.8(12) . . . 23_656 ? N4 C23 N5 N5 -116.0(18) 23_656 . . 23_656 ? N1 C23 N5 N5 100(3) . . . 23_656 ? N4 C23 N5 C23 86.2(14) . . . 23_656 ? N4 C23 N5 C23 64(2) 23_656 . . 23_656 ? N1 C23 N5 C23 -79.9(19) . . . 23_656 ? C23 C23 N5 C22 -86.2(14) 23_656 . . . ? N5 C23 N5 C22 93.8(12) 23_656 . . . ? N4 C23 N5 C22 0.0 . . . . ? N4 C23 N5 C22 -22.2(16) 23_656 . . . ? N1 C23 N5 C22 -166.1(19) . . . . ? C23 C23 N5 C22 -127(2) 23_656 . . 23_656 ? N5 C23 N5 C22 53.1(11) 23_656 . . 23_656 ? N4 C23 N5 C22 -40.7(9) . . . 23_656 ? N4 C23 N5 C22 -63(2) 23_656 . . 23_656 ? N1 C23 N5 C22 153(2) . . . 23_656 ? N5 N5 C22 C22 0.0(5) 23_656 . . 23_656 ? C23 N5 C22 C22 -91(3) 23_656 . . 23_656 ? C23 N5 C22 C22 -77.7(3) . . . 23_656 ? N5 N5 C22 N6 77.7(8) 23_656 . . . ? C23 N5 C22 N6 -14(3) 23_656 . . . ? C23 N5 C22 N6 0.0 . . . . ? C22 N5 C22 N6 77.7(3) 23_656 . . . ? N5 N5 C22 N3 -57.2(14) 23_656 . . . ? C23 N5 C22 N3 -149(3) 23_656 . . . ? C23 N5 C22 N3 -134.9(14) . . . . ? C22 N5 C22 N3 -57.2(13) 23_656 . . . ? C23 N5 C22 N5 -91(3) 23_656 . . 23_656 ? C23 N5 C22 N5 -77.7(8) . . . 23_656 ? C22 N5 C22 N5 0.0(5) 23_656 . . 23_656 ? N5 N5 C22 N6 48.8(10) 23_656 . . 23_656 ? C23 N5 C22 N6 -43(3) 23_656 . . 23_656 ? C23 N5 C22 N6 -28.9(7) . . . 23_656 ? C22 N5 C22 N6 48.8(8) 23_656 . . 23_656 ? C22 C22 N6 N6 0.0(4) 23_656 . . 23_656 ? N5 C22 N6 N6 -74.1(3) . . . 23_656 ? N3 C22 N6 N6 66.2(11) . . . 23_656 ? N5 C22 N6 N6 -55.1(14) 23_656 . . 23_656 ? C22 C22 N6 C24 73.9(8) 23_656 . . . ? N5 C22 N6 C24 -0.2(4) . . . . ? N3 C22 N6 C24 140.1(12) . . . . ? N5 C22 N6 C24 18.8(13) 23_656 . . . ? N6 C22 N6 C24 73.9(5) 23_656 . . . ? N5 C22 N6 C22 -74.1(7) . . . 23_656 ? N3 C22 N6 C22 66.2(10) . . . 23_656 ? N5 C22 N6 C22 -55.1(16) 23_656 . . 23_656 ? N6 C22 N6 C22 0.0(4) 23_656 . . 23_656 ? N2 C24 N6 N6 -108.0(14) . . . 23_656 ? N4 C24 N6 N6 109.9(16) 23_656 . . 23_656 ? N4 C24 N6 N6 86.6(7) . . . 23_656 ? N2 C24 N6 C22 165.8(14) . . . . ? N4 C24 N6 C22 23.8(15) 23_656 . . . ? N4 C24 N6 C22 0.5(8) . . . . ? N6 C24 N6 C22 -86.1(2) 23_656 . . . ? N2 C24 N6 C22 -156.6(11) . . . 23_656 ? N4 C24 N6 C22 61.3(19) 23_656 . . 23_656 ? N4 C24 N6 C22 38.0(9) . . . 23_656 ? N6 C24 N6 C22 -48.6(8) 23_656 . . 23_656 ? O2 Dy3 O2 C1 -54.2(5) 15_656 . . . ? O2 Dy3 O2 C1 54.2(5) 16_665 . . . ? O7 Dy3 O2 C1 -140.3(5) 16_665 . . . ? O7 Dy3 O2 C1 140.3(5) 15_656 . . . ? O7 Dy3 O2 C1 180.000(2) . . . . ? N1 C12 C13 C13 -106.8(4) . . . 23_656 ? C11 C12 C13 C13 123.5(6) 23_656 . . 23_656 ? C11 C12 C13 C13 73.3(2) . . . 23_656 ? N1 C12 C13 C14 -180.0(4) . . . . ? C11 C12 C13 C14 50.3(6) 23_656 . . . ? C11 C12 C13 C14 0.1(2) . . . . ? C13 C12 C13 C14 -73.2 23_656 . . . ? N1 C12 C13 C14 -145.0(6) . . . 23_656 ? C11 C12 C13 C14 85.3(10) 23_656 . . 23_656 ? C11 C12 C13 C14 35.0(4) . . . 23_656 ? C13 C12 C13 C14 -38.3(4) 23_656 . . 23_656 ? C13 C13 C14 C14 0.00(11) 23_656 . . 23_656 ? C12 C13 C14 C14 58.87(18) . . . 23_656 ? C13 C13 C14 C9 -58.9 23_656 . . . ? C12 C13 C14 C9 -0.01(10) . . . . ? C14 C13 C14 C9 -58.89(15) 23_656 . . . ? C12 C13 C14 C13 58.87(11) . . . 23_656 ? C14 C13 C14 C13 0.00(11) 23_656 . . 23_656 ? C14 C14 C9 C10 -123.5(7) 23_656 . . 23_656 ? C13 C14 C9 C10 -50.3(6) . . . 23_656 ? C13 C14 C9 C10 -85.3(9) 23_656 . . 23_656 ? C14 C14 C9 C10 -73.26(12) 23_656 . . . ? C13 C14 C9 C10 0.0 . . . . ? C13 C14 C9 C10 -35.0(4) 23_656 . . . ? C13 C14 C9 C14 73.23(12) . . . 23_656 ? C13 C14 C9 C14 38.3(3) 23_656 . . 23_656 ? C14 C14 C9 C8 106.76(19) 23_656 . . . ? C13 C14 C9 C8 179.99(15) . . . . ? C13 C14 C9 C8 145.0(4) 23_656 . . . ? O3 C8 C9 C10 -148.9(4) . . . 23_656 ? O4 C8 C9 C10 1.2(15) . . . 23_656 ? O4 C8 C9 C10 60.9(14) 23_656 . . 23_656 ? O3 C8 C9 C10 148.9(6) . . . . ? O4 C8 C9 C10 -61.0(15) . . . . ? O4 C8 C9 C10 -1.2(15) 23_656 . . . ? O3 C8 C9 C14 -31.1(6) . . . . ? O4 C8 C9 C14 119.0(15) . . . . ? O4 C8 C9 C14 178.8(15) 23_656 . . . ? O3 C8 C9 C14 31.1(5) . . . 23_656 ? O4 C8 C9 C14 -178.7(14) . . . 23_656 ? O4 C8 C9 C14 -119.0(15) 23_656 . . 23_656 ? C14 C9 C10 C10 -73.18(8) . . . 23_656 ? C14 C9 C10 C10 -123.6(7) 23_656 . . 23_656 ? C8 C9 C10 C10 106.80(17) . . . 23_656 ? C10 C9 C10 C11 73.21(8) 23_656 . . . ? C14 C9 C10 C11 0.0 . . . . ? C14 C9 C10 C11 -50.4(7) 23_656 . . . ? C8 C9 C10 C11 -179.99(15) . . . . ? C10 C9 C10 C11 38.3(4) 23_656 . . 23_656 ? C14 C9 C10 C11 -34.8(4) . . . 23_656 ? C14 C9 C10 C11 -85.3(10) 23_656 . . 23_656 ? C8 C9 C10 C11 145.1(4) . . . 23_656 ? C10 C10 C11 C11 0.00(11) 23_656 . . 23_656 ? C9 C10 C11 C11 -58.92(7) . . . 23_656 ? C10 C10 C11 C12 58.9(2) 23_656 . . . ? C9 C10 C11 C12 0.01(10) . . . . ? C11 C10 C11 C12 58.93(13) 23_656 . . . ? C9 C10 C11 C10 -58.92(18) . . . 23_656 ? C11 C10 C11 C10 0.00(11) 23_656 . . 23_656 ? N1 C12 C11 C11 -106.8(5) . . . 23_656 ? C13 C12 C11 C11 73.2(3) . . . 23_656 ? C13 C12 C11 C11 123.6(6) 23_656 . . 23_656 ? N1 C12 C11 C10 180.0(4) . . . . ? C11 C12 C11 C10 -73.22(7) 23_656 . . . ? C13 C12 C11 C10 -0.1(2) . . . . ? C13 C12 C11 C10 50.4(6) 23_656 . . . ? N1 C12 C11 C10 -145.1(6) . . . 23_656 ? C11 C12 C11 C10 -38.3(3) 23_656 . . 23_656 ? C13 C12 C11 C10 34.8(4) . . . 23_656 ? C13 C12 C11 C10 85.3(9) 23_656 . . 23_656 ? N3 C19 C18 C18 97.1(3) . . . 23_656 ? C20 C19 C18 C18 -109.1(5) 23_656 . . 23_656 ? C20 C19 C18 C18 -83.2(4) . . . 23_656 ? N3 C19 C18 C17 -179.83(19) . . . . ? C20 C19 C18 C17 -26.1(4) 23_656 . . . ? C20 C19 C18 C17 -0.2(5) . . . . ? C18 C19 C18 C17 83.0(2) 23_656 . . . ? N3 C19 C18 C17 155.7(6) . . . 23_656 ? C20 C19 C18 C17 -50.6(9) 23_656 . . 23_656 ? C20 C19 C18 C17 -24.6(9) . . . 23_656 ? C18 C19 C18 C17 58.6(5) 23_656 . . 23_656 ? C18 C18 C17 C17 0.0 23_656 . . 23_656 ? C19 C18 C17 C17 -76.0(3) . . . 23_656 ? C18 C18 C17 C16 75.75(8) 23_656 . . . ? C19 C18 C17 C16 -0.2(2) . . . . ? C17 C18 C17 C16 75.7 23_656 . . . ? C19 C18 C17 C18 -76.0(3) . . . 23_656 ? C17 C18 C17 C18 0.0 23_656 . . 23_656 ? C17 C17 C16 C21 109.1(4) 23_656 . . 23_656 ? C18 C17 C16 C21 26.5(5) . . . 23_656 ? C18 C17 C16 C21 50.5(9) 23_656 . . 23_656 ? C17 C17 C16 C21 83.33(17) 23_656 . . . ? C18 C17 C16 C21 0.7 . . . . ? C18 C17 C16 C21 24.7(6) 23_656 . . . ? C18 C17 C16 C17 -82.67(17) . . . 23_656 ? C18 C17 C16 C17 -58.7(7) 23_656 . . 23_656 ? C17 C17 C16 C15 -97.1(3) 23_656 . . . ? C18 C17 C16 C15 -179.75(17) . . . . ? C18 C17 C16 C15 -155.8(5) 23_656 . . . ? C17 C16 C21 C21 82.6(4) . . . 23_656 ? C17 C16 C21 C21 110.0(9) 23_656 . . 23_656 ? C15 C16 C21 C21 -97.0(4) . . . 23_656 ? C21 C16 C21 C20 -83.3(4) 23_656 . . . ? C17 C16 C21 C20 -0.7 . . . . ? C17 C16 C21 C20 26.7(6) 23_656 . . . ? C15 C16 C21 C20 179.74(17) . . . . ? C21 C16 C21 C20 -59.7(4) 23_656 . . 23_656 ? C17 C16 C21 C20 22.9(4) . . . 23_656 ? C17 C16 C21 C20 50.2(8) 23_656 . . 23_656 ? C15 C16 C21 C20 -156.7(5) . . . 23_656 ? C21 C21 C20 C20 0.0 23_656 . . 23_656 ? C16 C21 C20 C20 76.40(11) . . . 23_656 ? C21 C21 C20 C19 -76.2(3) 23_656 . . . ? C16 C21 C20 C19 0.2(2) . . . . ? C20 C21 C20 C19 -76.2(2) 23_656 . . . ? C16 C21 C20 C21 76.40(14) . . . 23_656 ? C20 C21 C20 C21 0.0 23_656 . . 23_656 ? N3 C19 C20 C20 97.0(5) . . . 23_656 ? C18 C19 C20 C20 -82.6(7) . . . 23_656 ? C18 C19 C20 C20 -109.4(3) 23_656 . . 23_656 ? N3 C19 C20 C21 179.83(19) . . . . ? C20 C19 C20 C21 82.8(4) 23_656 . . . ? C18 C19 C20 C21 0.2(5) . . . . ? C18 C19 C20 C21 -26.6(5) 23_656 . . . ? N3 C19 C20 C21 156.6(3) . . . 23_656 ? C20 C19 C20 C21 59.6(6) 23_656 . . 23_656 ? C18 C19 C20 C21 -23.0(6) . . . 23_656 ? C18 C19 C20 C21 -49.8(7) 23_656 . . 23_656 ? O6 Dy4 O5 C15 -57.9(3) 6_565 . . . ? O6 Dy4 O5 C15 57.9(3) 3_765 . . . ? O9 Dy4 O5 C15 -155.2(9) 24_654 . . . ? O9 Dy4 O5 C15 -147.1(9) . . . . ? O9 Dy4 O5 C15 155.2(9) 9_755 . . . ? O9 Dy4 O5 C15 147.1(9) 23_656 . . . ? O5 Dy4 O5 C15 0.000(1) 9_755 . . . ? O3 C8 O4 O4 -106.0(10) . . . 23_656 ? C9 C8 O4 O4 109.4(11) . . . 23_656 ? Dy1 C8 O4 O4 -64.5(13) 26_565 . . 23_656 ? O3 C8 O4 Dy1 -41.6(19) . . . 26_565 ? O4 C8 O4 Dy1 64.5(13) 23_656 . . 26_565 ? C9 C8 O4 Dy1 173.8(4) . . . 26_565 ? Dy4 O6 C15 O5 0.000(10) 3_765 . . . ? Dy4 O6 C15 C16 -179.85(16) 3_765 . . . ? Dy4 O5 C15 O6 0.000(2) . . . . ? Dy4 O5 C15 C16 179.85(14) . . . . ? C21 C16 C15 O6 166.7(3) 23_656 . . . ? C17 C16 C15 O6 14.1(4) . . . . ? C21 C16 C15 O6 -166.3(3) . . . . ? C17 C16 C15 O6 -14.7(5) 23_656 . . . ? C21 C16 C15 O5 -13.2(5) 23_656 . . . ? C17 C16 C15 O5 -165.8(4) . . . . ? C21 C16 C15 O5 13.8(3) . . . . ? C17 C16 C15 O5 165.5(4) 23_656 . . . ? C11 C12 N1 C23 -22.5(18) 23_656 . . . ? C13 C12 N1 C23 -140.3(18) . . . . ? C11 C12 N1 C23 39.7(18) . . . . ? C13 C12 N1 C23 157.5(18) 23_656 . . . ? C11 C12 N1 C23 -39.7(14) 23_656 . . 23_656 ? C13 C12 N1 C23 -157.5(15) . . . 23_656 ? C11 C12 N1 C23 22.5(16) . . . 23_656 ? C13 C12 N1 C23 140.3(15) 23_656 . . 23_656 ? C23 C23 N1 C12 -96.4(15) 23_656 . . . ? N5 C23 N1 C12 -4(4) 23_656 . . . ? N4 C23 N1 C12 172.5(8) . . . . ? N5 C23 N1 C12 -24.5(19) . . . . ? N4 C23 N1 C12 -159.3(19) 23_656 . . . ? N5 C23 N1 C23 93(3) 23_656 . . 23_656 ? N4 C23 N1 C23 -91.1(16) . . . 23_656 ? N5 C23 N1 C23 71.9(15) . . . 23_656 ? N4 C23 N1 C23 -63(3) 23_656 . . 23_656 ? N4 C24 N2 C5 -11(2) 23_656 . . . ? N4 C24 N2 C5 11(2) . . . . ? N6 C24 N2 C5 -156(2) . . . . ? N6 C24 N2 C5 156(2) 23_656 . . . ? C6 C5 N2 C24 10(5) 23_656 . . . ? C6 C5 N2 C24 -10(3) . . . . ? C4 C5 N2 C24 165.3(11) . . . . ? C4 C5 N2 C24 -165.3(14) 23_656 . . . ? C20 C19 N3 C22 43.4(11) 23_656 . . 23_656 ? C18 C19 N3 C22 -164.4(11) . . . 23_656 ? C20 C19 N3 C22 15.9(11) . . . 23_656 ? C18 C19 N3 C22 -136.2(11) 23_656 . . 23_656 ? C20 C19 N3 C22 -15.9(10) 23_656 . . . ? C18 C19 N3 C22 136.2(11) . . . . ? C20 C19 N3 C22 -43.4(11) . . . . ? C18 C19 N3 C22 164.4(10) 23_656 . . . ? C22 C22 N3 C19 111.2(15) 23_656 . . . ? N6 C22 N3 C19 33.1(13) . . . . ? N5 C22 N3 C19 173.4(9) . . . . ? N5 C22 N3 C19 157.7(7) 23_656 . . . ? N6 C22 N3 C19 58.9(14) 23_656 . . . ? N6 C22 N3 C22 -78.1(5) . . . 23_656 ? N5 C22 N3 C22 62.2(10) . . . 23_656 ? N5 C22 N3 C22 46.5(17) 23_656 . . 23_656 ? N6 C22 N3 C22 -52.3(9) 23_656 . . 23_656 ? Dy1 O1 C1 O2 0.000(4) . . . . ? Dy1 O1 C1 C2 180.00(5) . . . . ? Dy3 O2 C1 O1 0.000(3) . . . . ? Dy3 O2 C1 C2 180.000(2) . . . . ? C7 C2 C1 O1 -169.5(7) . . . . ? C7 C2 C1 O1 169.5(5) 23_656 . . . ? C3 C2 C1 O1 14.3(9) . . . . ? C3 C2 C1 O1 -14.3(8) 23_656 . . . ? C7 C2 C1 O2 10.5(7) . . . . ? C7 C2 C1 O2 -10.5(5) 23_656 . . . ? C3 C2 C1 O2 -165.7(9) . . . . ? C3 C2 C1 O2 165.7(8) 23_656 . . . ? O6 Dy4 O9 O9 -92.6(4) 6_565 . . 24_654 ? O6 Dy4 O9 O9 125.8(10) 3_765 . . 24_654 ? O9 Dy4 O9 O9 51.5(17) 9_755 . . 24_654 ? O9 Dy4 O9 O9 101.8(4) 23_656 . . 24_654 ? O5 Dy4 O9 O9 -10.8(3) . . . 24_654 ? O5 Dy4 O9 O9 -171.7(3) 9_755 . . 24_654 ? O6 Dy4 O9 O9 165.6(5) 6_565 . . 23_656 ? O6 Dy4 O9 O9 24.0(7) 3_765 . . 23_656 ? O9 Dy4 O9 O9 -101.8(4) 24_654 . . 23_656 ? O9 Dy4 O9 O9 -50.3(17) 9_755 . . 23_656 ? O5 Dy4 O9 O9 -112.6(7) . . . 23_656 ? O5 Dy4 O9 O9 86.5(3) 9_755 . . 23_656 ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 38.98 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 0.884 _refine_diff_density_min -0.449 _refine_diff_density_rms 0.074 # SQUEEZE RESULTS (APPEND TO CIF) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 -0.003 -0.009 -0.003 46504 6265 ' ' _platon_squeeze_details ; ;