data_sin04 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C25 H20 F12 N8 P2 Ru' _chemical_formula_weight 823.50 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 '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' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P2(1)/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.532(2) _cell_length_b 12.828(3) _cell_length_c 23.516(5) _cell_angle_alpha 90.00 _cell_angle_beta 94.148(13) _cell_angle_gamma 90.00 _cell_volume 3168.7(12) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _cell_measurement_reflns_used 47 _cell_measurement_theta_min 5.0 _cell_measurement_theta_max 12.0 _exptl_crystal_description needle _exptl_crystal_colour red _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.726 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1632 _exptl_absorpt_coefficient_mu 0.699 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.632 _exptl_absorpt_correction_T_max 0.854 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens P4' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number 2 _diffrn_standards_interval_count 298 _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0.1 _diffrn_reflns_number 7278 _diffrn_reflns_av_R_equivalents 0.0525 _diffrn_reflns_av_sigmaI/netI 0.1355 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 2.07 _diffrn_reflns_theta_max 27.01 _reflns_number_total 6905 _reflns_number_gt 3364 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _publ_section_exptl_refinement ; The P2-F2n distances were restrained with sadi commands. ; _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^)+(0.1050P)^2^] 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 noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6905 _refine_ls_number_parameters 434 _refine_ls_number_restraints 15 _refine_ls_R_factor_all 0.1737 _refine_ls_R_factor_gt 0.0763 _refine_ls_wR_factor_ref 0.2232 _refine_ls_wR_factor_gt 0.1759 _refine_ls_goodness_of_fit_ref 1.003 _refine_ls_restrained_S_all 1.004 _refine_ls_shift/su_max 0.000 _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 Ru Ru 1.50035(6) 0.74922(6) 0.88922(3) 0.02964(19) Uani 1 1 d . . . N1 N 1.6570(7) 0.6580(5) 0.8802(3) 0.0348(16) Uani 1 1 d . . . N2 N 1.3798(6) 0.6317(5) 0.8769(3) 0.0322(16) Uani 1 1 d . . . N3 N 1.4873(6) 0.6995(6) 0.9734(3) 0.0348(16) Uani 1 1 d . . . N4 N 1.4738(6) 0.7467(7) 0.8005(3) 0.0391(15) Uani 1 1 d . . . N5 N 1.3588(6) 0.8548(5) 0.9021(3) 0.0311(16) Uani 1 1 d . . . N6 N 1.6038(6) 0.8859(5) 0.9032(3) 0.0356(16) Uani 1 1 d . . . N7 N 1.3234(7) 1.0279(6) 0.9351(4) 0.057(2) Uani 1 1 d . . . N8 N 1.5808(7) 1.0643(6) 0.9317(5) 0.065(3) Uani 1 1 d . . . C1 C 1.3381(8) 0.5839(7) 0.9233(4) 0.038(2) Uani 1 1 d . . . C2 C 1.2455(9) 0.5055(8) 0.9151(5) 0.050(3) Uani 1 1 d . . . H2A H 1.2147 0.4705 0.9469 0.060 Uiso 1 1 calc R . . C3 C 1.2001(10) 0.4799(9) 0.8610(5) 0.062(3) Uani 1 1 d . . . H3A H 1.1373 0.4270 0.8555 0.074 Uiso 1 1 calc R . . C4 C 1.2434(10) 0.5293(8) 0.8144(5) 0.057(3) Uani 1 1 d . . . H4A H 1.2102 0.5119 0.7769 0.068 Uiso 1 1 calc R . . C5 C 1.3370(9) 0.6054(7) 0.8232(4) 0.041(2) Uani 1 1 d . . . C6 C 1.4010(8) 0.6218(6) 0.9774(4) 0.0352(19) Uani 1 1 d . . . C7 C 1.3749(9) 0.5803(7) 1.0300(4) 0.049(3) Uani 1 1 d . . . H7A H 1.3133 0.5267 1.0324 0.059 Uiso 1 1 calc R . . C8 C 1.4407(11) 0.6188(8) 1.0788(4) 0.056(3) Uani 1 1 d . . . H8A H 1.4270 0.5906 1.1152 0.067 Uiso 1 1 calc R . . C9 C 1.5261(10) 0.6986(8) 1.0734(4) 0.049(2) Uani 1 1 d . . . H9A H 1.5702 0.7276 1.1063 0.059 Uiso 1 1 calc R . . C10 C 1.5475(8) 0.7361(7) 1.0205(4) 0.041(2) Uani 1 1 d . . . H10A H 1.6079 0.7905 1.0175 0.049 Uiso 1 1 calc R . . C11 C 1.3969(10) 0.6695(8) 0.7799(4) 0.046(2) Uani 1 1 d . . . C12 C 1.3772(13) 0.6487(9) 0.7218(5) 0.066(3) Uani 1 1 d . . . H12A H 1.3184 0.5969 0.7078 0.079 Uiso 1 1 calc R . . C13 C 1.4456(14) 0.7055(11) 0.6860(5) 0.074(4) Uani 1 1 d . . . H13A H 1.4373 0.6901 0.6464 0.088 Uiso 1 1 calc R . . C14 C 1.5260(13) 0.7839(10) 0.7048(5) 0.068(3) Uani 1 1 d . . . H14A H 1.5715 0.8243 0.6792 0.082 Uiso 1 1 calc R . . C15 C 1.5375(10) 0.8015(8) 0.7630(4) 0.053(3) Uani 1 1 d . . . H15A H 1.5934 0.8551 0.7772 0.063 Uiso 1 1 calc R . . C16 C 1.3979(8) 0.9522(7) 0.9191(4) 0.040(2) Uani 1 1 d . . . C17 C 1.2312(8) 0.8370(7) 0.8986(4) 0.041(2) Uani 1 1 d . . . H17A H 1.1987 0.7717 0.8853 0.050 Uiso 1 1 calc R . . C18 C 1.1501(9) 0.9127(8) 0.9143(5) 0.053(3) Uani 1 1 d . . . H18A H 1.0611 0.8998 0.9129 0.064 Uiso 1 1 calc R . . C19 C 1.1971(9) 1.0061(8) 0.9317(5) 0.060(3) Uani 1 1 d . . . H19A H 1.1395 1.0586 0.9421 0.072 Uiso 1 1 calc R . . C20 C 1.5372(8) 0.9690(7) 0.9183(4) 0.039(2) Uani 1 1 d . . . C21 C 1.7306(9) 0.9035(8) 0.8980(5) 0.052(3) Uani 1 1 d . . . H21A H 1.7837 0.8482 0.8872 0.063 Uiso 1 1 calc R . . C22 C 1.7812(10) 1.0006(8) 0.9085(6) 0.071(4) Uani 1 1 d . . . H22A H 1.8684 1.0136 0.9033 0.085 Uiso 1 1 calc R . . C23 C 1.7056(10) 1.0782(9) 0.9263(6) 0.080(4) Uani 1 1 d . . . H23A H 1.7424 1.1444 0.9352 0.096 Uiso 1 1 calc R . . C24 C 1.7431(9) 0.6127(7) 0.8709(4) 0.042(2) Uani 1 1 d . . . C25 C 1.8586(11) 0.5538(9) 0.8600(6) 0.073(4) Uani 1 1 d . . . H25A H 1.9329 0.5998 0.8650 0.110 Uiso 1 1 calc R . . H25B H 1.8512 0.5269 0.8209 0.110 Uiso 1 1 calc R . . H25C H 1.8688 0.4955 0.8869 0.110 Uiso 1 1 calc R . . P1 P 1.5201(3) 0.2116(2) 0.48661(12) 0.0492(7) Uani 1 1 d . . . F11 F 1.6452(6) 0.2300(5) 0.4548(4) 0.098(3) Uani 1 1 d . . . F12 F 1.4664(9) 0.1525(8) 0.4328(4) 0.120(3) Uani 1 1 d . . . F13 F 1.5749(11) 0.1051(6) 0.5093(4) 0.133(4) Uani 1 1 d . . . F14 F 1.3923(8) 0.1964(7) 0.5153(4) 0.117(3) Uani 1 1 d . . . F15 F 1.5787(9) 0.2678(7) 0.5401(4) 0.141(4) Uani 1 1 d . . . F16 F 1.4696(7) 0.3209(6) 0.4641(4) 0.102(3) Uani 1 1 d . . . P2 P 0.9666(5) 0.8315(4) 0.75914(18) 0.1092(16) Uani 1 1 d D . . F21 F 1.0266(16) 0.7533(9) 0.8021(6) 0.213(8) Uani 1 1 d D . . F22 F 0.9507(14) 0.9123(11) 0.8062(5) 0.186(5) Uani 1 1 d D . . F23 F 0.8445(12) 0.7775(15) 0.7698(12) 0.321(13) Uani 1 1 d D . . F24 F 0.994(3) 0.7579(17) 0.7127(6) 0.349(15) Uani 1 1 d D . . F25 F 0.913(3) 0.9119(14) 0.7162(5) 0.362(16) Uani 1 1 d D . . F26 F 1.0983(17) 0.8772(16) 0.7608(11) 0.372(16) Uani 1 1 d D . . 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 Ru 0.0245(3) 0.0254(3) 0.0393(3) -0.0011(4) 0.0042(2) 0.0004(4) N1 0.034(4) 0.030(4) 0.041(4) -0.003(3) 0.009(3) 0.004(3) N2 0.026(4) 0.029(4) 0.042(4) -0.006(3) 0.003(3) -0.002(3) N3 0.027(4) 0.034(4) 0.044(4) -0.005(3) 0.003(3) 0.009(3) N4 0.037(3) 0.039(4) 0.041(4) 0.001(4) -0.002(3) 0.003(4) N5 0.028(4) 0.029(4) 0.036(4) 0.000(3) 0.003(3) -0.005(3) N6 0.030(4) 0.029(4) 0.047(4) -0.007(3) 0.001(3) 0.004(3) N7 0.028(4) 0.041(5) 0.101(7) -0.016(5) -0.002(4) 0.005(4) N8 0.026(4) 0.036(5) 0.131(9) -0.020(5) -0.003(5) -0.004(4) C1 0.036(5) 0.030(5) 0.050(6) 0.006(4) 0.018(4) 0.008(4) C2 0.033(5) 0.044(6) 0.076(7) -0.004(5) 0.016(5) 0.000(5) C3 0.040(5) 0.059(7) 0.085(9) -0.022(6) 0.005(6) -0.023(5) C4 0.045(6) 0.051(6) 0.074(8) -0.024(6) -0.001(5) -0.012(5) C5 0.040(5) 0.035(5) 0.049(6) -0.008(4) 0.003(4) 0.000(4) C6 0.029(4) 0.034(4) 0.044(5) -0.001(4) 0.013(4) 0.005(4) C7 0.046(6) 0.040(5) 0.065(7) -0.001(5) 0.024(5) 0.000(4) C8 0.075(8) 0.051(6) 0.044(6) 0.008(5) 0.012(5) 0.007(6) C9 0.058(6) 0.046(6) 0.042(6) -0.006(5) -0.012(5) 0.015(5) C10 0.040(4) 0.036(6) 0.046(5) -0.002(4) -0.003(4) 0.011(4) C11 0.052(6) 0.042(5) 0.045(6) -0.002(4) 0.000(5) 0.000(5) C12 0.087(9) 0.063(7) 0.045(6) -0.009(5) -0.012(6) -0.011(7) C13 0.103(10) 0.083(8) 0.033(6) 0.006(6) -0.012(6) -0.009(8) C14 0.092(9) 0.072(8) 0.041(6) 0.013(5) 0.006(6) -0.004(7) C15 0.056(6) 0.046(6) 0.056(7) 0.002(5) 0.002(5) 0.003(5) C16 0.035(5) 0.026(4) 0.058(6) -0.003(4) -0.003(4) 0.006(4) C17 0.028(4) 0.040(5) 0.056(6) -0.005(4) 0.001(4) -0.001(4) C18 0.027(5) 0.042(6) 0.091(8) 0.000(5) 0.004(5) 0.000(4) C19 0.028(5) 0.049(6) 0.103(9) -0.004(6) 0.008(6) 0.002(5) C20 0.023(4) 0.034(5) 0.059(6) -0.006(4) -0.005(4) 0.005(4) C21 0.028(5) 0.042(6) 0.086(8) -0.010(5) 0.004(5) -0.008(4) C22 0.033(5) 0.044(6) 0.137(12) -0.021(7) 0.010(6) -0.003(5) C23 0.033(6) 0.043(6) 0.166(14) -0.025(7) 0.014(7) -0.005(5) C24 0.053(6) 0.028(4) 0.045(6) 0.002(4) 0.011(5) 0.006(5) C25 0.061(7) 0.057(7) 0.106(10) 0.000(7) 0.036(7) 0.025(6) P1 0.0520(16) 0.0421(13) 0.0535(17) -0.0028(12) 0.0035(13) -0.0102(12) F11 0.050(4) 0.068(5) 0.180(8) 0.015(5) 0.034(5) 0.006(3) F12 0.108(7) 0.159(9) 0.093(6) -0.054(6) 0.013(5) -0.035(6) F13 0.244(12) 0.067(5) 0.094(6) 0.023(4) 0.063(7) 0.053(7) F14 0.123(7) 0.105(6) 0.134(7) -0.019(6) 0.086(6) -0.048(6) F15 0.129(8) 0.141(8) 0.140(8) -0.076(7) -0.078(7) 0.054(7) F16 0.058(4) 0.095(6) 0.159(8) 0.070(5) 0.042(5) 0.033(4) P2 0.130(4) 0.141(4) 0.061(2) 0.003(3) 0.039(3) -0.016(4) F21 0.287(19) 0.151(11) 0.183(12) 0.050(9) -0.112(12) -0.100(12) F22 0.223(15) 0.225(14) 0.111(9) -0.049(9) 0.008(9) 0.008(12) F23 0.100(10) 0.27(2) 0.59(4) -0.08(2) 0.005(17) -0.019(12) F24 0.53(4) 0.41(3) 0.108(10) -0.111(14) 0.006(15) 0.21(3) F25 0.72(5) 0.28(2) 0.076(8) 0.013(10) -0.070(16) 0.20(3) F26 0.34(3) 0.27(2) 0.55(4) 0.00(3) 0.30(3) -0.14(2) _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 Ru N2 1.979(7) . ? Ru N1 2.046(7) . ? Ru N5 2.053(7) . ? Ru N6 2.078(7) . ? Ru N4 2.086(7) . ? Ru N3 2.094(7) . ? N1 C24 1.112(11) . ? N2 C1 1.352(11) . ? N2 C5 1.352(11) . ? N3 C10 1.323(11) . ? N3 C6 1.357(11) . ? N4 C15 1.343(13) . ? N4 C11 1.347(12) . ? N5 C17 1.360(11) . ? N5 C16 1.366(10) . ? N6 C20 1.338(10) . ? N6 C21 1.368(11) . ? N7 C16 1.320(11) . ? N7 C19 1.356(12) . ? N8 C20 1.336(11) . ? N8 C23 1.342(12) . ? C1 C2 1.404(13) . ? C1 C6 1.473(13) . ? C2 C3 1.367(15) . ? C3 C4 1.372(15) . ? C4 C5 1.393(13) . ? C5 C11 1.485(13) . ? C6 C7 1.392(12) . ? C7 C8 1.389(14) . ? C8 C9 1.375(15) . ? C9 C10 1.367(13) . ? C11 C12 1.393(14) . ? C12 C13 1.359(16) . ? C13 C14 1.368(17) . ? C14 C15 1.385(14) . ? C16 C20 1.484(12) . ? C17 C18 1.361(12) . ? C18 C19 1.349(14) . ? C21 C22 1.371(13) . ? C22 C23 1.359(14) . ? C24 C25 1.470(13) . ? P1 F15 1.541(8) . ? P1 F12 1.547(8) . ? P1 F14 1.560(8) . ? P1 F13 1.562(8) . ? P1 F16 1.578(7) . ? P1 F11 1.580(7) . ? P2 F24 1.486(10) . ? P2 F23 1.498(12) . ? P2 F26 1.503(13) . ? P2 F25 1.522(11) . ? P2 F21 1.528(10) . ? P2 F22 1.533(10) . ? 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 N2 Ru N1 93.6(3) . . ? N2 Ru N5 93.4(3) . . ? N1 Ru N5 172.8(3) . . ? N2 Ru N6 171.7(3) . . ? N1 Ru N6 94.7(3) . . ? N5 Ru N6 78.3(3) . . ? N2 Ru N4 78.7(3) . . ? N1 Ru N4 86.5(3) . . ? N5 Ru N4 96.4(3) . . ? N6 Ru N4 101.6(3) . . ? N2 Ru N3 79.7(3) . . ? N1 Ru N3 91.8(3) . . ? N5 Ru N3 87.9(3) . . ? N6 Ru N3 100.2(3) . . ? N4 Ru N3 158.2(3) . . ? C24 N1 Ru 173.9(8) . . ? C1 N2 C5 122.3(8) . . ? C1 N2 Ru 118.0(6) . . ? C5 N2 Ru 119.6(6) . . ? C10 N3 C6 119.1(8) . . ? C10 N3 Ru 128.6(6) . . ? C6 N3 Ru 112.3(6) . . ? C15 N4 C11 117.7(8) . . ? C15 N4 Ru 127.7(7) . . ? C11 N4 Ru 113.8(6) . . ? C17 N5 C16 116.5(7) . . ? C17 N5 Ru 127.3(6) . . ? C16 N5 Ru 116.1(6) . . ? C20 N6 C21 115.2(8) . . ? C20 N6 Ru 115.8(6) . . ? C21 N6 Ru 129.0(6) . . ? C16 N7 C19 115.6(9) . . ? C20 N8 C23 114.9(9) . . ? N2 C1 C2 118.5(9) . . ? N2 C1 C6 113.3(8) . . ? C2 C1 C6 128.2(9) . . ? C3 C2 C1 119.5(10) . . ? C2 C3 C4 121.3(10) . . ? C3 C4 C5 118.5(10) . . ? N2 C5 C4 119.9(9) . . ? N2 C5 C11 111.9(8) . . ? C4 C5 C11 128.1(9) . . ? N3 C6 C7 121.2(9) . . ? N3 C6 C1 116.4(7) . . ? C7 C6 C1 122.4(8) . . ? C8 C7 C6 118.7(9) . . ? C9 C8 C7 118.5(9) . . ? C10 C9 C8 119.9(9) . . ? N3 C10 C9 122.4(9) . . ? N4 C11 C12 122.5(10) . . ? N4 C11 C5 115.8(8) . . ? C12 C11 C5 121.7(9) . . ? C13 C12 C11 117.1(11) . . ? C12 C13 C14 122.6(11) . . ? C13 C14 C15 116.6(11) . . ? N4 C15 C14 123.4(10) . . ? N7 C16 N5 125.7(8) . . ? N7 C16 C20 120.3(8) . . ? N5 C16 C20 114.0(7) . . ? N5 C17 C18 120.1(8) . . ? C19 C18 C17 119.5(9) . . ? C18 C19 N7 122.5(10) . . ? N8 C20 N6 127.8(8) . . ? N8 C20 C16 117.0(8) . . ? N6 C20 C16 115.2(8) . . ? N6 C21 C22 120.2(9) . . ? C23 C22 C21 119.4(10) . . ? N8 C23 C22 122.2(10) . . ? N1 C24 C25 178.5(12) . . ? F15 P1 F12 177.6(6) . . ? F15 P1 F14 90.7(6) . . ? F12 P1 F14 91.0(5) . . ? F15 P1 F13 90.8(5) . . ? F12 P1 F13 87.5(6) . . ? F14 P1 F13 93.0(6) . . ? F15 P1 F16 87.9(5) . . ? F12 P1 F16 93.8(6) . . ? F14 P1 F16 88.6(5) . . ? F13 P1 F16 177.9(6) . . ? F15 P1 F11 91.0(6) . . ? F12 P1 F11 87.3(5) . . ? F14 P1 F11 176.9(6) . . ? F13 P1 F11 89.6(5) . . ? F16 P1 F11 88.9(4) . . ? F24 P2 F23 92.3(14) . . ? F24 P2 F26 92.4(14) . . ? F23 P2 F26 167.8(14) . . ? F24 P2 F25 91.4(10) . . ? F23 P2 F25 98.3(15) . . ? F26 P2 F25 92.8(14) . . ? F24 P2 F21 88.6(10) . . ? F23 P2 F21 84.5(10) . . ? F26 P2 F21 84.4(11) . . ? F25 P2 F21 177.1(15) . . ? F24 P2 F22 174.7(14) . . ? F23 P2 F22 93.0(10) . . ? F26 P2 F22 82.3(11) . . ? F25 P2 F22 88.1(8) . . ? F21 P2 F22 91.6(8) . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 27.01 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 0.950 _refine_diff_density_min -0.724 _refine_diff_density_rms 0.132