# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? loop_ _publ_author_name _publ_author_address 'S.El Ghachtouli' ;Institut de Chimie Mol\'eculaire et des Mat\'eriaux d'Orsay UMR CNRS 8182 B\^at. 420 Universit\'e Paris-Sud 91405 ORSAY Cedex, France. ; K.Wojcik ;ICBMS-UMR 5246 Universit\'e Claude Bernard-Lyon 1 Domaine Scientifique de la Doua-B\^at. Curien/CPE 43 Boulevard du 11 Novembre 1918 69622 Villeurbanne CEDEX France. ; L.Copey ;ICBMS-UMR 5246 Universit\'e Claude Bernard-Lyon 1 Domaine Scientifique de la Doua-B\^at. Curien/CPE 43 Boulevard du 11 Novembre 1918 69622 Villeurbanne CEDEX France. ; F.Szydlo ;ICBMS-UMR 5246 Universit\'e Claude Bernard-Lyon 1 Domaine Scientifique de la Doua-B\^at. Curien/CPE 43 Boulevard du 11 Novembre 1918 69622 Villeurbanne CEDEX France. ; E.Framery ;ICBMS-UMR 5246 Universit\'e Claude Bernard-Lyon 1 Domaine Scientifique de la Doua-B\^at. Curien/CPE 43 Boulevard du 11 Novembre 1918 69622 Villeurbanne CEDEX France. ; ; C.Goux-Henry ; ;ICBMS-UMR 5246 Universit\'e Claude Bernard-Lyon 1 Domaine Scientifique de la Doua-B\^at. Curien/CPE 43 Boulevard du 11 Novembre 1918 69622 Villeurbanne CEDEX France. ; L.Billon ;Institut de Chimie Mol\'eculaire et des Mat\'eriaux d'Orsay UMR CNRS 8182 B\^at. 420 Universit\'e Paris-Sud 91405 ORSAY Cedex, France. ; M.-F.Charlot ;Institut de Chimie Mol\'eculaire et des Mat\'eriaux d'Orsay UMR CNRS 8182 B\^at. 420 Universit\'e Paris-Sud 91405 ORSAY Cedex, France. ; R.Guillot ;Institut de Chimie Mol\'eculaire et des Mat\'eriaux d'Orsay UMR CNRS 8182 B\^at. 420 Universit\'e Paris-Sud 91405 ORSAY Cedex, France. ; B.Andrioletti ;ICBMS-UMR 5246 Universit\'e Claude Bernard-Lyon 1 Domaine Scientifique de la Doua-B\^at. Curien/CPE 43 Boulevard du 11 Novembre 1918 69622 Villeurbanne CEDEX France. ; A.Aukauloo ;Institut de Chimie Mol\'eculaire et des Mat\'eriaux d'Orsay UMR CNRS 8182 B\^at. 420 Universit\'e Paris-Sud 91405 ORSAY Cedex, France. ; _publ_contact_author_address ;Institut de Chimie Mol\'eculaire et des Mat\'eriaux d'Orsay UMR CNRS 8182 B\^at. 420 Universit\'e Paris-Sud 91405 ORSAY Cedex, France. ; _publ_contact_author_email ally.aukauloo@u-psud.fr _publ_contact_author_phone '+33 (0)1 69 15 47 56' _publ_contact_author_name 'Ally Aukauloo' data_1137GuillotICMMO _database_code_depnum_ccdc_archive 'CCDC 811013' #TrackingRef '1137GuillotICMMO.cif' _database_code_CSD 'CCDC 811013' _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety 'C54 H24 F10 Mn2 N4 O4' _chemical_formula_sum 'C54 H24 F10 Mn2 N4 O4' _chemical_melting_point ? _exptl_crystal_description plate _exptl_crystal_colour green _diffrn_ambient_temperature 100(1) _chemical_formula_weight 1092.65 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0031 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' O O 0.0109 0.0061 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0176 0.0103 '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 monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_int_tables_number 14 _chemical_absolute_configuration . loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 11.7563(16) _cell_length_b 11.2145(13) _cell_length_c 15.6509(18) _cell_angle_alpha 90.00 _cell_angle_beta 100.273(4) _cell_angle_gamma 90.00 _cell_volume 2030.4(4) _cell_formula_units_Z 2 _cell_measurement_temperature 100(1) _cell_measurement_reflns_used 2690 _cell_measurement_theta_min 2.25 _cell_measurement_theta_max 23.48 _exptl_crystal_size_max 0.12 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.03 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.787 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1096 _exptl_absorpt_coefficient_mu 0.729 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.9241 _exptl_absorpt_correction_T_max 0.9802 _exptl_absorpt_process_details SADABS _exptl_special_details ; ? ; _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source 'fine-focus sealed tube' _diffrn_source_type 'kappa X8 APEX II Bruker ICMMO' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 27228 _diffrn_reflns_av_R_equivalents 0.0975 _diffrn_reflns_av_sigmaI/netI 0.1011 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.25 _diffrn_reflns_theta_max 26.43 _reflns_number_total 4156 _reflns_number_gt 2588 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _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^)+(0.0330P)^2^+5.8024P] 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_number_reflns 4156 _refine_ls_number_parameters 334 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1189 _refine_ls_R_factor_gt 0.0559 _refine_ls_wR_factor_ref 0.1217 _refine_ls_wR_factor_gt 0.1013 _refine_ls_goodness_of_fit_ref 1.000 _refine_ls_restrained_S_all 1.000 _refine_ls_shift/su_max 0.005 _refine_ls_shift/su_mean 0.001 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 C23 C 0.2273(3) -0.0051(4) -0.0846(3) 0.0166(9) Uani 1 1 d . . . C24 C 0.3254(4) 0.0103(4) -0.1224(3) 0.0161(9) Uani 1 1 d . . . C25 C 0.3178(4) -0.0037(4) -0.2123(3) 0.0175(10) Uani 1 1 d . . . H25 H 0.3827 0.0094 -0.2375 0.021 Uiso 1 1 calc R . . C26 C 0.2150(4) -0.0366(4) -0.2637(3) 0.0207(10) Uani 1 1 d . . . H26 H 0.2106 -0.0459 -0.3232 0.025 Uiso 1 1 calc R . . C27 C 0.1188(4) -0.0556(4) -0.2268(3) 0.0241(11) Uani 1 1 d . . . H27 H 0.0492 -0.0779 -0.2613 0.029 Uiso 1 1 calc R . . C28 C 0.1257(4) -0.0414(4) -0.1374(3) 0.0241(11) Uani 1 1 d . . . H28 H 0.0608 -0.0567 -0.1127 0.029 Uiso 1 1 calc R . . O1 O 0.4309(2) 0.0337(2) -0.07313(16) 0.0143(6) Uani 1 1 d . . . C1 C 0.6683(3) 0.2676(4) 0.0197(3) 0.0164(9) Uani 1 1 d . . . C2 C 0.7504(4) 0.2954(4) -0.0308(3) 0.0201(10) Uani 1 1 d . . . H2 H 0.7356 0.2787 -0.0900 0.024 Uiso 1 1 calc R . . C3 C 0.8542(4) 0.3477(4) 0.0061(3) 0.0229(11) Uani 1 1 d . . . H3 H 0.9084 0.3659 -0.0286 0.027 Uiso 1 1 calc R . . C4 C 0.8783(4) 0.3730(4) 0.0937(3) 0.0221(10) Uani 1 1 d . . . H4 H 0.9493 0.4056 0.1185 0.026 Uiso 1 1 calc R . . C5 C 0.7969(4) 0.3498(4) 0.1435(3) 0.0208(10) Uani 1 1 d . . . H5 H 0.8127 0.3688 0.2023 0.025 Uiso 1 1 calc R . . C6 C 0.6895(3) 0.2978(4) 0.1088(3) 0.0156(9) Uani 1 1 d . . . C7 C 0.6046(3) 0.2781(4) 0.1627(3) 0.0151(9) Uani 1 1 d . . . C8 C 0.6092(4) 0.3203(4) 0.2485(3) 0.0185(10) Uani 1 1 d . . . H8 H 0.6677 0.3667 0.2799 0.022 Uiso 1 1 calc R . . C9 C 0.5129(3) 0.2810(4) 0.2771(3) 0.0173(9) Uani 1 1 d . . . H9 H 0.4935 0.2960 0.3311 0.021 Uiso 1 1 calc R . . C10 C 0.4480(3) 0.2133(4) 0.2095(2) 0.0145(9) Uani 1 1 d . . . C11 C 0.3440(3) 0.1546(4) 0.2097(2) 0.0148(9) Uani 1 1 d . . . C12 C 0.2963(4) 0.1609(4) 0.2922(3) 0.0180(10) Uani 1 1 d . . . C13 C 0.3565(4) 0.1137(4) 0.3697(3) 0.0217(10) Uani 1 1 d . . . C14 C 0.3137(4) 0.1202(4) 0.4460(3) 0.0258(11) Uani 1 1 d . . . C15 C 0.2074(4) 0.1710(4) 0.4469(3) 0.0296(12) Uani 1 1 d . . . C17 C 0.1456(4) 0.2185(4) 0.3716(3) 0.0261(11) Uani 1 1 d . . . C18 C 0.1898(4) 0.2125(4) 0.2954(3) 0.0205(10) Uani 1 1 d . . . C19 C 0.2804(3) 0.0908(4) 0.1408(3) 0.0159(9) Uani 1 1 d . . . C20 C 0.1776(3) 0.0283(4) 0.1380(3) 0.0169(10) Uani 1 1 d . . . H20 H 0.1374 0.0200 0.1837 0.020 Uiso 1 1 calc R . . C21 C 0.1454(4) -0.0191(4) 0.0562(3) 0.0191(10) Uani 1 1 d . . . H21 H 0.0803 -0.0653 0.0367 0.023 Uiso 1 1 calc R . . C22 C 0.2301(3) 0.0155(4) 0.0076(3) 0.0164(10) Uani 1 1 d . . . N1 N 0.3141(3) 0.0812(3) 0.0592(2) 0.0132(7) Uani 1 1 d . . . N2 N 0.5057(3) 0.2133(3) 0.1390(2) 0.0150(8) Uani 1 1 d . . . O2 O 0.5717(2) 0.2114(2) -0.01698(17) 0.0190(7) Uani 1 1 d . . . F1 F 0.12799(19) 0.2613(2) 0.22444(15) 0.0250(6) Uani 1 1 d . . . F2 F 0.0426(2) 0.2686(2) 0.37250(17) 0.0364(7) Uani 1 1 d . . . F3 F 0.1646(3) 0.1754(3) 0.52030(17) 0.0438(8) Uani 1 1 d . . . F4 F 0.3729(2) 0.0716(2) 0.51876(15) 0.0377(7) Uani 1 1 d . . . F5 F 0.4575(2) 0.0589(2) 0.37104(15) 0.0262(6) Uani 1 1 d . . . Mn1 Mn 0.46383(5) 0.12562(6) 0.03100(4) 0.01407(18) Uani 1 1 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 C23 0.016(2) 0.019(2) 0.015(2) -0.0051(19) 0.0018(18) -0.0004(18) C24 0.020(2) 0.015(2) 0.014(2) 0.0014(18) 0.0044(19) 0.0025(18) C25 0.016(2) 0.022(2) 0.015(2) 0.0007(19) 0.0045(18) 0.0007(19) C26 0.023(2) 0.025(3) 0.014(2) -0.005(2) 0.0034(19) 0.005(2) C27 0.017(2) 0.032(3) 0.022(2) -0.008(2) -0.0005(19) -0.001(2) C28 0.014(2) 0.033(3) 0.026(3) -0.004(2) 0.007(2) 0.001(2) O1 0.0093(14) 0.0223(16) 0.0113(14) -0.0005(12) 0.0019(12) -0.0023(12) C1 0.014(2) 0.018(2) 0.018(2) 0.0013(19) 0.0034(18) -0.0007(18) C2 0.026(3) 0.022(2) 0.013(2) 0.0008(19) 0.0063(19) -0.003(2) C3 0.020(2) 0.024(3) 0.028(3) 0.000(2) 0.015(2) -0.001(2) C4 0.015(2) 0.027(3) 0.023(2) -0.002(2) -0.0004(18) 0.003(2) C5 0.019(2) 0.025(3) 0.018(2) -0.001(2) 0.0035(19) 0.000(2) C6 0.015(2) 0.014(2) 0.018(2) 0.0023(19) 0.0010(18) 0.0000(18) C7 0.014(2) 0.013(2) 0.018(2) 0.0037(19) 0.0021(18) 0.0009(18) C8 0.022(2) 0.019(2) 0.014(2) -0.0030(19) 0.0028(19) -0.0015(19) C9 0.022(2) 0.019(2) 0.012(2) -0.0020(19) 0.0060(18) 0.0013(19) C10 0.013(2) 0.018(2) 0.013(2) -0.0015(18) 0.0065(17) 0.0067(18) C11 0.014(2) 0.018(2) 0.012(2) -0.0004(18) 0.0041(17) 0.0022(17) C12 0.021(2) 0.017(2) 0.016(2) -0.0037(19) 0.0062(19) -0.0048(19) C13 0.024(2) 0.022(2) 0.020(2) -0.001(2) 0.0077(19) -0.010(2) C14 0.037(3) 0.027(3) 0.013(2) 0.000(2) 0.004(2) -0.011(2) C15 0.039(3) 0.034(3) 0.021(3) -0.011(2) 0.020(2) -0.020(2) C17 0.025(3) 0.026(3) 0.032(3) -0.010(2) 0.016(2) -0.006(2) C18 0.022(2) 0.022(2) 0.019(2) -0.002(2) 0.007(2) -0.005(2) C19 0.016(2) 0.019(2) 0.014(2) -0.0021(18) 0.0055(18) 0.0021(18) C20 0.013(2) 0.021(2) 0.018(2) 0.0013(19) 0.0046(18) 0.0017(18) C21 0.015(2) 0.023(3) 0.021(2) -0.003(2) 0.0061(19) 0.0001(19) C22 0.015(2) 0.016(2) 0.018(2) 0.0013(19) 0.0028(19) 0.0071(18) N1 0.0118(17) 0.0171(18) 0.0108(17) -0.0025(15) 0.0020(14) 0.0004(14) N2 0.0147(18) 0.0149(19) 0.0163(19) 0.0010(15) 0.0051(15) 0.0009(15) O2 0.0160(15) 0.0242(16) 0.0170(16) 0.0036(13) 0.0034(12) -0.0085(13) F1 0.0189(14) 0.0301(15) 0.0274(14) -0.0027(12) 0.0079(11) 0.0038(11) F2 0.0266(15) 0.0434(17) 0.0459(17) -0.0163(14) 0.0250(13) -0.0079(13) F3 0.0557(19) 0.0564(19) 0.0271(15) -0.0156(14) 0.0286(14) -0.0264(16) F4 0.0537(19) 0.0435(17) 0.0150(14) 0.0036(13) 0.0040(13) -0.0159(15) F5 0.0270(15) 0.0290(15) 0.0206(14) 0.0024(12) -0.0010(11) 0.0004(12) Mn1 0.0122(3) 0.0187(3) 0.0122(3) -0.0028(3) 0.0047(2) -0.0010(3) _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 C23 C28 1.387(6) . ? C23 C24 1.398(5) . ? C23 C22 1.456(6) . ? C24 O1 1.363(5) . ? C24 C25 1.404(5) . ? C25 C26 1.377(6) . ? C26 C27 1.376(6) . ? C27 C28 1.396(6) . ? O1 Mn1 1.909(3) . ? O1 Mn1 2.207(3) 3_655 ? C1 O2 1.335(5) . ? C1 C2 1.387(5) . ? C1 C6 1.414(6) . ? C2 C3 1.384(6) . ? C3 C4 1.380(6) . ? C4 C5 1.363(6) . ? C5 C6 1.408(6) . ? C6 C7 1.434(5) . ? C7 N2 1.365(5) . ? C7 C8 1.415(6) . ? C8 C9 1.363(6) . ? C9 C10 1.411(6) . ? C10 C11 1.388(5) . ? C10 N2 1.394(5) . ? C11 C19 1.395(5) . ? C11 C12 1.498(5) . ? C12 C18 1.389(6) . ? C12 C13 1.395(6) . ? C13 F5 1.334(5) . ? C13 C14 1.378(6) . ? C14 F4 1.341(5) . ? C14 C15 1.376(7) . ? C15 F3 1.334(5) . ? C15 C17 1.377(7) . ? C17 F2 1.337(5) . ? C17 C18 1.384(6) . ? C18 F1 1.332(5) . ? C19 C20 1.391(5) . ? C19 N1 1.407(5) . ? C20 C21 1.375(6) . ? C21 C22 1.411(6) . ? C22 N1 1.374(5) . ? N1 Mn1 1.954(3) . ? N2 Mn1 1.941(3) . ? O2 Mn1 1.855(3) . ? Mn1 O1 2.207(3) 3_655 ? Mn1 Mn1 3.1460(13) 3_655 ? 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 C28 C23 C24 118.2(4) . . ? C28 C23 C22 120.2(4) . . ? C24 C23 C22 121.7(4) . . ? O1 C24 C23 121.4(3) . . ? O1 C24 C25 118.5(3) . . ? C23 C24 C25 120.1(4) . . ? C26 C25 C24 120.5(4) . . ? C27 C26 C25 119.9(4) . . ? C26 C27 C28 119.9(4) . . ? C27 C28 C23 121.4(4) . . ? C24 O1 Mn1 127.8(2) . . ? C24 O1 Mn1 114.7(2) . 3_655 ? Mn1 O1 Mn1 99.46(11) . 3_655 ? O2 C1 C2 119.1(4) . . ? O2 C1 C6 121.5(3) . . ? C2 C1 C6 119.4(4) . . ? C3 C2 C1 120.6(4) . . ? C4 C3 C2 120.8(4) . . ? C5 C4 C3 119.2(4) . . ? C4 C5 C6 122.1(4) . . ? C5 C6 C1 117.9(4) . . ? C5 C6 C7 120.4(4) . . ? C1 C6 C7 121.7(4) . . ? N2 C7 C8 108.8(3) . . ? N2 C7 C6 124.8(4) . . ? C8 C7 C6 126.4(4) . . ? C9 C8 C7 108.0(4) . . ? C8 C9 C10 107.4(4) . . ? C11 C10 N2 123.7(4) . . ? C11 C10 C9 127.7(4) . . ? N2 C10 C9 108.6(3) . . ? C10 C11 C19 126.3(4) . . ? C10 C11 C12 116.4(3) . . ? C19 C11 C12 117.3(3) . . ? C18 C12 C13 116.5(4) . . ? C18 C12 C11 122.0(4) . . ? C13 C12 C11 121.4(4) . . ? F5 C13 C14 118.2(4) . . ? F5 C13 C12 120.1(4) . . ? C14 C13 C12 121.8(4) . . ? F4 C14 C15 119.6(4) . . ? F4 C14 C13 120.0(4) . . ? C15 C14 C13 120.2(4) . . ? F3 C15 C17 120.0(4) . . ? F3 C15 C14 120.4(4) . . ? C17 C15 C14 119.5(4) . . ? F2 C17 C15 119.6(4) . . ? F2 C17 C18 120.6(4) . . ? C15 C17 C18 119.8(4) . . ? F1 C18 C17 117.8(4) . . ? F1 C18 C12 120.1(4) . . ? C17 C18 C12 122.1(4) . . ? C11 C19 C20 128.8(4) . . ? C11 C19 N1 122.8(4) . . ? C20 C19 N1 108.4(3) . . ? C21 C20 C19 108.5(4) . . ? C20 C21 C22 107.0(4) . . ? N1 C22 C21 109.5(3) . . ? N1 C22 C23 123.7(4) . . ? C21 C22 C23 126.7(4) . . ? C22 N1 C19 106.6(3) . . ? C22 N1 Mn1 125.9(3) . . ? C19 N1 Mn1 126.6(3) . . ? C7 N2 C10 107.2(3) . . ? C7 N2 Mn1 125.3(3) . . ? C10 N2 Mn1 127.2(3) . . ? C1 O2 Mn1 131.4(2) . . ? O2 Mn1 O1 89.09(12) . . ? O2 Mn1 N2 90.23(13) . . ? O1 Mn1 N2 176.54(13) . . ? O2 Mn1 N1 158.83(13) . . ? O1 Mn1 N1 90.08(12) . . ? N2 Mn1 N1 91.78(13) . . ? O2 Mn1 O1 98.82(11) . 3_655 ? O1 Mn1 O1 80.54(11) . 3_655 ? N2 Mn1 O1 96.22(12) . 3_655 ? N1 Mn1 O1 101.90(12) . 3_655 ? O2 Mn1 Mn1 95.61(9) . 3_655 ? O1 Mn1 Mn1 43.78(8) . 3_655 ? N2 Mn1 Mn1 132.97(10) . 3_655 ? N1 Mn1 Mn1 98.37(10) . 3_655 ? O1 Mn1 Mn1 36.76(7) 3_655 3_655 ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.495 _refine_diff_density_min -0.718 _refine_diff_density_rms 0.099