data_20160309 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C66 H32 Mn2 N18 O' _chemical_formula_sum 'C66 H32 Mn2 N18 O' _chemical_formula_weight 1202.98 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' 'O' 'O' 0.0106 0.0060 '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' 'Mn' 'Mn' 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 4/n n c' _symmetry_space_group_name_Hall '-P 4a 2bc' _symmetry_Int_Tables_number 126 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y+1/2, z' 'x, -y+1/2, -z+1/2' '-x+1/2, y, -z+1/2' '-y+1/2, -x+1/2, -z+1/2' 'y, x, -z+1/2' 'y, -x+1/2, z' '-y+1/2, x, z' '-x, -y, -z' 'x-1/2, y-1/2, -z' '-x, y-1/2, z-1/2' 'x-1/2, -y, z-1/2' 'y-1/2, x-1/2, z-1/2' '-y, -x, z-1/2' '-y, x-1/2, -z' 'y-1/2, -x, -z' _cell_length_a 13.7022(14) _cell_length_b 13.7022(14) _cell_length_c 13.5358(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2541.4(4) _cell_formula_units_Z 2 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 14861 _cell_measurement_theta_min 3.01 _cell_measurement_theta_max 27.61 _exptl_crystal_description platelet _exptl_crystal_colour black _exptl_crystal_size_max 0.50 _exptl_crystal_size_mid 0.30 _exptl_crystal_size_min 0.01 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.572 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1224 _exptl_absorpt_coefficient_mu 0.567 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7647 _exptl_absorpt_correction_T_max 0.9944 _exptl_absorpt_process_details 'ABSCOR (Rigaku, 1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID 191R' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.000 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 22973 _diffrn_reflns_av_R_equivalents 0.0853 _diffrn_reflns_av_sigmaI/netI 0.0552 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 27.48 _reflns_number_total 1469 _reflns_number_gt 945 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'RAPID AUTO (Rigaku, ????)' _computing_cell_refinement 'RAPID AUTO' _computing_data_reduction 'RAPID AUTO' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.1000P)^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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 1469 _refine_ls_number_parameters 201 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1159 _refine_ls_R_factor_gt 0.0726 _refine_ls_wR_factor_ref 0.1874 _refine_ls_wR_factor_gt 0.1614 _refine_ls_goodness_of_fit_ref 1.121 _refine_ls_restrained_S_all 1.121 _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 O1 O 0.2500 0.2500 0.2500 0.077(2) Uani 1 8 d S . . N1 N 0.2500 0.2500 -0.141(2) 0.155(14) Uani 0.50 4 d SP A 2 N2 N 0.3140(8) 0.3762(8) 0.1172(6) 0.051(3) Uani 0.50 1 d P B 2 N3 N 0.1717(7) 0.4819(8) 0.1211(6) 0.053(3) Uani 0.50 1 d P C 1 C4 C 0.3389(13) 0.5450(12) 0.1224(9) 0.074(6) Uani 0.50 1 d P C 1 C5 C 0.4283(17) 0.5018(14) 0.1272(17) 0.140(10) Uani 0.50 1 d P C 1 C6 C 0.2643(16) 0.4674(14) 0.1209(15) 0.155(11) Uani 0.50 1 d P C 1 C7 C 0.4168(13) 0.3896(14) 0.1201(15) 0.100(9) Uani 0.50 1 d P C 1 C8 C 0.2500 0.2500 -0.039(6) 0.060(12) Uani 0.50 4 d SP A 2 C9 C 0.4150(14) 0.6978(13) 0.1325(18) 0.105(9) Uani 0.50 1 d P C 1 H1 H 0.4058 0.7649 0.1367 0.126 Uiso 0.50 1 calc PR C 1 C10 C 0.3410(16) 0.6375(17) 0.127(3) 0.110(8) Uani 0.50 1 d P C 1 H2 H 0.2800 0.6673 0.1271 0.131 Uiso 0.50 1 calc PR C 1 C11 C 0.5175(15) 0.5554(17) 0.1303(15) 0.163(11) Uani 0.50 1 d P C 1 H3 H 0.5784 0.5255 0.1316 0.195 Uiso 0.50 1 calc PR C 1 C12 C 0.5053(19) 0.6582(13) 0.1314(19) 0.139(11) Uani 0.50 1 d P C 1 H4 H 0.5598 0.6986 0.1313 0.167 Uiso 0.50 1 calc PR C 1 Mn1 Mn 0.2500 0.2500 0.1199(9) 0.162(5) Uani 0.50 4 d SP . 2 Mn2 Mn 0.2500 0.2500 0.1209(2) 0.0354(6) Uani 0.50 4 d SP . 1 C1 C 0.2500 0.2500 -0.014(5) 0.057(15) Uani 0.50 4 d SP D 1 N4 N 0.2500 0.2500 -0.1011(12) 0.049(4) Uani 0.50 4 d SP D 1 N5 N 0.3141(12) 0.3800(9) 0.1172(12) 0.128(9) Uani 0.50 1 d P C 1 C13 C 0.2676(7) 0.4663(9) 0.1193(7) 0.045(3) Uani 0.50 1 d P B 2 C14 C 0.4102(13) 0.3985(13) 0.1197(10) 0.063(5) Uani 0.50 1 d P B 2 N6 N 0.1713(11) 0.4864(9) 0.1201(13) 0.141(9) Uani 0.50 1 d P B 2 C15 C 0.4135(19) 0.6991(6) 0.124(2) 0.128(12) Uani 0.50 1 d P B 2 H5 H 0.4133 0.7669 0.1217 0.153 Uiso 0.50 1 calc PR B 2 C16 C 0.4312(7) 0.4993(8) 0.1208(9) 0.048(3) Uani 0.50 1 d P B 2 C17 C 0.5135(10) 0.5532(9) 0.1259(7) 0.058(4) Uani 0.50 1 d P B 2 H6 H 0.5743 0.5231 0.1270 0.070 Uiso 0.50 1 calc PR B 2 C18 C 0.3201(13) 0.6497(11) 0.122(2) 0.085(5) Uani 0.50 1 d P B 2 H7 H 0.2592 0.6797 0.1223 0.102 Uiso 0.50 1 calc PR B 2 C19 C 0.5064(12) 0.6510(14) 0.1294(12) 0.078(6) Uani 0.50 1 d P B 2 H8 H 0.5629 0.6882 0.1353 0.094 Uiso 0.50 1 calc PR B 2 C20 C 0.3382(9) 0.5423(9) 0.1211(14) 0.105(9) Uani 0.50 1 d P B 2 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 O1 0.051(3) 0.051(3) 0.129(7) 0.000 0.000 0.000 N1 0.140(17) 0.140(17) 0.18(3) 0.000 0.000 0.000 N2 0.038(6) 0.053(8) 0.062(4) 0.002(4) 0.001(4) -0.006(5) N3 0.041(7) 0.051(7) 0.068(5) -0.002(4) 0.000(4) -0.008(5) C4 0.092(13) 0.068(13) 0.061(6) 0.003(6) -0.002(6) 0.007(9) C5 0.124(17) 0.061(11) 0.24(2) 0.025(11) 0.019(12) -0.048(10) C6 0.085(16) 0.038(10) 0.34(3) -0.003(10) 0.008(14) 0.010(9) C7 0.043(9) 0.045(8) 0.21(2) 0.014(8) 0.014(9) -0.024(7) C8 0.060(12) 0.060(12) 0.06(2) 0.000 0.000 0.000 C9 0.061(11) 0.097(14) 0.158(16) -0.032(9) 0.010(10) -0.030(8) C10 0.062(11) 0.070(13) 0.196(16) 0.001(9) -0.007(9) 0.038(6) C11 0.057(11) 0.074(13) 0.36(3) -0.003(12) 0.006(11) -0.034(9) C12 0.100(16) 0.031(7) 0.28(3) -0.018(10) 0.019(14) 0.001(7) Mn1 0.058(4) 0.058(4) 0.368(14) 0.000 0.000 0.000 Mn2 0.0220(10) 0.0220(10) 0.0621(16) 0.000 0.000 0.000 C1 0.027(8) 0.027(8) 0.12(5) 0.000 0.000 0.000 N4 0.059(5) 0.059(5) 0.031(8) 0.000 0.000 0.000 N5 0.057(10) 0.022(6) 0.30(2) -0.004(7) 0.004(8) 0.000(5) C13 0.030(6) 0.037(7) 0.067(5) 0.003(4) 0.001(4) -0.004(4) C14 0.054(9) 0.054(8) 0.079(7) -0.008(6) -0.009(6) 0.018(6) N6 0.058(10) 0.025(6) 0.34(2) 0.014(7) 0.002(9) 0.015(6) C15 0.12(2) 0.005(4) 0.26(3) 0.021(7) 0.027(15) -0.008(6) C16 0.029(5) 0.045(7) 0.072(6) -0.012(5) -0.004(4) 0.012(4) C17 0.057(8) 0.047(7) 0.072(5) 0.003(5) 0.005(5) 0.004(6) C18 0.039(6) 0.019(4) 0.198(14) 0.013(6) 0.009(7) 0.001(5) C19 0.058(9) 0.080(12) 0.098(9) 0.010(7) 0.010(7) -0.042(8) C20 0.027(6) 0.024(6) 0.26(2) 0.000(8) 0.009(7) -0.008(5) _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 O1 Mn2 1.747(3) . ? O1 Mn2 1.747(3) 3 ? O1 Mn1 1.761(13) . ? O1 Mn1 1.761(13) 3 ? N1 C8 1.38(7) . ? N2 C14 1.35(2) . ? N2 C13 1.388(16) . ? N2 Mn1 1.940(11) . ? N3 C7 1.23(3) 8 ? N3 C6 1.28(2) . ? C4 C10 1.27(3) . ? C4 C5 1.36(3) . ? C4 C6 1.47(3) . ? C5 C11 1.43(3) . ? C5 C7 1.55(2) . ? C6 N5 1.38(2) . ? C7 N3 1.23(3) 7 ? C7 N5 1.41(2) . ? C8 Mn1 2.16(7) . ? C9 C10 1.31(3) . ? C9 C12 1.35(3) . ? C11 C12 1.42(3) . ? Mn1 N2 1.940(11) 2 ? Mn1 N2 1.940(11) 7 ? Mn1 N2 1.940(11) 8 ? Mn2 C1 1.83(7) . ? Mn2 N5 1.987(14) 8 ? Mn2 N5 1.987(14) . ? Mn2 N5 1.987(14) 2 ? Mn2 N5 1.987(14) 7 ? C1 N4 1.18(7) . ? C13 N6 1.349(18) . ? C13 C20 1.422(15) . ? C14 C16 1.41(2) . ? C14 N6 1.42(3) 7 ? N6 C14 1.42(3) 8 ? C15 C19 1.44(2) . ? C15 C18 1.45(3) . ? C16 C17 1.350(18) . ? C16 C20 1.404(14) . ? C17 C19 1.34(2) . ? C18 C20 1.49(2) . ? 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 Mn2 O1 Mn2 180.0 . 3 ? Mn2 O1 Mn1 0.0 . . ? Mn2 O1 Mn1 179.999(1) 3 . ? Mn2 O1 Mn1 179.999(1) . 3 ? Mn2 O1 Mn1 0.0 3 3 ? Mn1 O1 Mn1 179.999(1) . 3 ? C14 N2 C13 104.2(12) . . ? C14 N2 Mn1 129.8(11) . . ? C13 N2 Mn1 125.8(8) . . ? C7 N3 C6 124.4(14) 8 . ? C10 C4 C5 114.3(18) . . ? C10 C4 C6 137.5(19) . . ? C5 C4 C6 108.0(15) . . ? C4 C5 C11 123.2(18) . . ? C4 C5 C7 109.7(16) . . ? C11 C5 C7 127(2) . . ? N3 C6 N5 128.5(19) . . ? N3 C6 C4 124.9(17) . . ? N5 C6 C4 106.5(18) . . ? N3 C7 N5 131.4(14) 7 . ? N3 C7 C5 127.3(15) 7 . ? N5 C7 C5 101.2(18) . . ? N1 C8 Mn1 180.000(1) . . ? C10 C9 C12 117.1(19) . . ? C4 C10 C9 131(2) . . ? C12 C11 C5 114(2) . . ? C9 C12 C11 120(2) . . ? O1 Mn1 N2 91.1(4) . 2 ? O1 Mn1 N2 91.1(4) . 7 ? N2 Mn1 N2 89.977(17) 2 7 ? O1 Mn1 N2 91.1(4) . . ? N2 Mn1 N2 177.9(9) 2 . ? N2 Mn1 N2 89.981(17) 7 . ? O1 Mn1 N2 91.1(4) . 8 ? N2 Mn1 N2 89.982(17) 2 8 ? N2 Mn1 N2 177.9(9) 7 8 ? N2 Mn1 N2 89.979(17) . 8 ? O1 Mn1 C8 180.000(6) . . ? N2 Mn1 C8 88.9(4) 2 . ? N2 Mn1 C8 88.9(4) 7 . ? N2 Mn1 C8 88.9(4) . . ? N2 Mn1 C8 88.9(4) 8 . ? O1 Mn2 C1 180.000(6) . . ? O1 Mn2 N5 91.4(5) . 8 ? C1 Mn2 N5 88.6(5) . 8 ? O1 Mn2 N5 91.4(5) . . ? C1 Mn2 N5 88.6(5) . . ? N5 Mn2 N5 89.96(2) 8 . ? O1 Mn2 N5 91.4(5) . 2 ? C1 Mn2 N5 88.6(5) . 2 ? N5 Mn2 N5 89.97(2) 8 2 ? N5 Mn2 N5 177.1(9) . 2 ? O1 Mn2 N5 91.4(5) . 7 ? C1 Mn2 N5 88.6(5) . 7 ? N5 Mn2 N5 177.1(9) 8 7 ? N5 Mn2 N5 89.96(2) . 7 ? N5 Mn2 N5 89.96(2) 2 7 ? N4 C1 Mn2 180.000(1) . . ? C6 N5 C7 114.2(16) . . ? C6 N5 Mn2 124.0(14) . . ? C7 N5 Mn2 121.5(12) . . ? N6 C13 N2 129.1(11) . . ? N6 C13 C20 121.0(12) . . ? N2 C13 C20 109.9(10) . . ? N2 C14 C16 114.8(16) . . ? N2 C14 N6 124.5(14) . 7 ? C16 C14 N6 120.7(13) . 7 ? C13 N6 C14 120.6(12) . 8 ? C19 C15 C18 124.7(11) . . ? C17 C16 C20 121.9(11) . . ? C17 C16 C14 135.0(11) . . ? C20 C16 C14 103.1(12) . . ? C19 C17 C16 119.1(12) . . ? C15 C18 C20 108.3(14) . . ? C17 C19 C15 121.4(12) . . ? C16 C20 C13 108.0(11) . . ? C16 C20 C18 124.5(11) . . ? C13 C20 C18 127.5(12) . . ? 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 C10 C4 C5 C11 -4(3) . . . . ? C6 C4 C5 C11 -180(2) . . . . ? C10 C4 C5 C7 -180(2) . . . . ? C6 C4 C5 C7 5(2) . . . . ? C7 N3 C6 N5 2(3) 8 . . . ? C7 N3 C6 C4 -179.8(18) 8 . . . ? C10 C4 C6 N3 3(4) . . . . ? C5 C4 C6 N3 176.7(18) . . . . ? C10 C4 C6 N5 -178(3) . . . . ? C5 C4 C6 N5 -4(2) . . . . ? C4 C5 C7 N3 179.4(18) . . . 7 ? C11 C5 C7 N3 4(4) . . . 7 ? C4 C5 C7 N5 -3(2) . . . . ? C11 C5 C7 N5 -179(2) . . . . ? C5 C4 C10 C9 3(5) . . . . ? C6 C4 C10 C9 176(3) . . . . ? C12 C9 C10 C4 1(5) . . . . ? C4 C5 C11 C12 2(3) . . . . ? C7 C5 C11 C12 177(2) . . . . ? C10 C9 C12 C11 -4(4) . . . . ? C5 C11 C12 C9 2(3) . . . . ? Mn2 O1 Mn1 N2 0(100) . . . 2 ? Mn2 O1 Mn1 N2 -62(20) 3 . . 2 ? Mn1 O1 Mn1 N2 -62(20) 3 . . 2 ? Mn2 O1 Mn1 N2 -90(100) . . . 7 ? Mn2 O1 Mn1 N2 -152(20) 3 . . 7 ? Mn1 O1 Mn1 N2 -152(20) 3 . . 7 ? Mn2 O1 Mn1 N2 -180(100) . . . . ? Mn2 O1 Mn1 N2 118(20) 3 . . . ? Mn1 O1 Mn1 N2 118(20) 3 . . . ? Mn2 O1 Mn1 N2 90(100) . . . 8 ? Mn2 O1 Mn1 N2 28(20) 3 . . 8 ? Mn1 O1 Mn1 N2 28(20) 3 . . 8 ? Mn2 O1 Mn1 C8 0(21) . . . . ? Mn2 O1 Mn1 C8 0(100) 3 . . . ? Mn1 O1 Mn1 C8 0(100) 3 . . . ? C14 N2 Mn1 O1 87.3(11) . . . . ? C13 N2 Mn1 O1 -87.8(8) . . . . ? C14 N2 Mn1 N2 -92.7(11) . . . 2 ? C13 N2 Mn1 N2 92.3(8) . . . 2 ? C14 N2 Mn1 N2 -3.8(14) . . . 7 ? C13 N2 Mn1 N2 -178.8(6) . . . 7 ? C14 N2 Mn1 N2 178.3(9) . . . 8 ? C13 N2 Mn1 N2 3.3(11) . . . 8 ? C14 N2 Mn1 C8 -92.7(11) . . . . ? C13 N2 Mn1 C8 92.2(8) . . . . ? N1 C8 Mn1 O1 0.0 . . . . ? N1 C8 Mn1 N2 -64(100) . . . 2 ? N1 C8 Mn1 N2 26(100) . . . 7 ? N1 C8 Mn1 N2 116(100) . . . . ? N1 C8 Mn1 N2 -154(100) . . . 8 ? Mn2 O1 Mn2 C1 0(100) 3 . . . ? Mn1 O1 Mn2 C1 0(7) . . . . ? Mn1 O1 Mn2 C1 0(100) 3 . . . ? Mn2 O1 Mn2 N5 27(5) 3 . . 8 ? Mn1 O1 Mn2 N5 -90(100) . . . 8 ? Mn1 O1 Mn2 N5 27(5) 3 . . 8 ? Mn2 O1 Mn2 N5 117(5) 3 . . . ? Mn1 O1 Mn2 N5 0(100) . . . . ? Mn1 O1 Mn2 N5 117(5) 3 . . . ? Mn2 O1 Mn2 N5 -63(5) 3 . . 2 ? Mn1 O1 Mn2 N5 180(100) . . . 2 ? Mn1 O1 Mn2 N5 -63(5) 3 . . 2 ? Mn2 O1 Mn2 N5 -153(5) 3 . . 7 ? Mn1 O1 Mn2 N5 90(100) . . . 7 ? Mn1 O1 Mn2 N5 -153(5) 3 . . 7 ? O1 Mn2 C1 N4 0.0 . . . . ? N5 Mn2 C1 N4 169(100) 8 . . . ? N5 Mn2 C1 N4 79(100) . . . . ? N5 Mn2 C1 N4 -101(100) 2 . . . ? N5 Mn2 C1 N4 -11(100) 7 . . . ? N3 C6 N5 C7 -178.8(18) . . . . ? C4 C6 N5 C7 2(2) . . . . ? N3 C6 N5 Mn2 -5(3) . . . . ? C4 C6 N5 Mn2 176.7(10) . . . . ? N3 C7 N5 C6 178(2) 7 . . . ? C5 C7 N5 C6 0(2) . . . . ? N3 C7 N5 Mn2 3(3) 7 . . . ? C5 C7 N5 Mn2 -174.0(12) . . . . ? O1 Mn2 N5 C6 -86.5(15) . . . . ? C1 Mn2 N5 C6 93.5(15) . . . . ? N5 Mn2 N5 C6 4.9(19) 8 . . . ? N5 Mn2 N5 C6 93.5(15) 2 . . . ? N5 Mn2 N5 C6 -178.0(12) 7 . . . ? O1 Mn2 N5 C7 87.3(15) . . . . ? C1 Mn2 N5 C7 -92.7(15) . . . . ? N5 Mn2 N5 C7 178.7(12) 8 . . . ? N5 Mn2 N5 C7 -92.7(15) 2 . . . ? N5 Mn2 N5 C7 -4.2(19) 7 . . . ? C14 N2 C13 N6 -178.6(13) . . . . ? Mn1 N2 C13 N6 -2.5(17) . . . . ? C14 N2 C13 C20 1.1(13) . . . . ? Mn1 N2 C13 C20 177.2(10) . . . . ? C13 N2 C14 C16 -1.6(14) . . . . ? Mn1 N2 C14 C16 -177.4(9) . . . . ? C13 N2 C14 N6 179.1(14) . . . 7 ? Mn1 N2 C14 N6 3(2) . . . 7 ? N2 C13 N6 C14 1(2) . . . 8 ? C20 C13 N6 C14 -179.1(15) . . . 8 ? N2 C14 C16 C17 177.7(12) . . . . ? N6 C14 C16 C17 -3(2) 7 . . . ? N2 C14 C16 C20 1.4(16) . . . . ? N6 C14 C16 C20 -179.3(14) 7 . . . ? C20 C16 C17 C19 -1.4(18) . . . . ? C14 C16 C17 C19 -177.2(15) . . . . ? C19 C15 C18 C20 -3(4) . . . . ? C16 C17 C19 C15 -2(2) . . . . ? C18 C15 C19 C17 5(4) . . . . ? C17 C16 C20 C13 -177.5(11) . . . . ? C14 C16 C20 C13 -0.5(16) . . . . ? C17 C16 C20 C18 3(3) . . . . ? C14 C16 C20 C18 179.8(19) . . . . ? N6 C13 C20 C16 179.4(13) . . . . ? N2 C13 C20 C16 -0.4(15) . . . . ? N6 C13 C20 C18 -1(2) . . . . ? N2 C13 C20 C18 179.2(19) . . . . ? C15 C18 C20 C16 0(3) . . . . ? C15 C18 C20 C13 180(2) . . . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.303 _refine_diff_density_min -0.176 _refine_diff_density_rms 0.057