#------------------------------------------------------------------------------ #$Date: 2026-04-08 01:25:15 +0100 (Wed, 08 Apr 2026) $ #$Revision: 305475 $ #$URL: svn://www.crystallography.net/cod/cif/7/06/43/7064370.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7064370 loop_ _publ_author_name 'Pramanik, Abhishek' 'Majumder, Samit' 'Hazra, Susanta' 'Mohanta, Sasankasekhar' _publ_section_title ; Transmetalated synthesis of homodinuclear MnII and CoII complexes containing Robson type macrocyclic ligands: crystal structure, magnetic investigation and DFT calculations ; _journal_name_full 'New Journal of Chemistry' _journal_paper_doi 10.1039/D5NJ04703J _journal_year 2026 _chemical_formula_moiety 'C28 H34 Cl2 Mn2 N4 O2' _chemical_formula_sum 'C28 H34 Cl2 Mn2 N4 O2' _chemical_formula_weight 639.37 _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens difmap _audit_creation_date 2023-08-22 _audit_creation_method ; Olex2 1.5 (compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748) ; _audit_update_record ; 2023-09-04 deposited with the CCDC. 2026-04-07 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 110.505(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.7907(6) _cell_length_b 11.7780(7) _cell_length_c 13.2080(8) _cell_measurement_reflns_used 9023 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 28.74 _cell_measurement_theta_min 2.47 _cell_volume 1426.58(15) _computing_cell_refinement 'Bruker SMART' _computing_data_collection 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5 (Dolomanov et al., 2009)' _computing_structure_refinement 'XL (Sheldrick, 2008)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.990 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0463 _diffrn_reflns_av_unetI/netI 0.0335 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.990 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_number 19174 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.990 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 27.454 _diffrn_reflns_theta_min 2.221 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 1.105 _exptl_absorpt_correction_T_max 0.9571 _exptl_absorpt_correction_T_min 0.9071 _exptl_absorpt_correction_type none _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_crystal_colour 'dark brown' _exptl_crystal_density_diffrn 1.488 _exptl_crystal_density_method 'not measured' _exptl_crystal_description square _exptl_crystal_F_000 660 _exptl_crystal_size_max 0.09 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.04 _refine_diff_density_max 0.390 _refine_diff_density_min -0.266 _refine_diff_density_rms 0.062 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.025 _refine_ls_hydrogen_treatment refall _refine_ls_matrix_type full _refine_ls_number_parameters 240 _refine_ls_number_reflns 3219 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.025 _refine_ls_R_factor_all 0.0466 _refine_ls_R_factor_gt 0.0309 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0333P)^2^+0.5874P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0668 _refine_ls_wR_factor_ref 0.0725 _reflns_Friedel_coverage 0.000 _reflns_number_gt 2556 _reflns_number_total 3219 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d5nj04703j2.cif _cod_data_source_block mndi _cod_database_code 7064370 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_max 0.957 _shelx_estimated_absorpt_t_min 0.907 _olex2_refinement_description ; ; _shelx_res_file ; TITL MNDI OLEX2: imported from CIF mndi.res created by SHELXL-2016/6 at 21:24:09 on 22-Aug-2023 CELL 0.71073 9.7907 11.778 13.208 90 110.505 90 ZERR 2 0.0006 0.0007 0.0008 0 0.002 0 LATT 1 SYMM -X,0.5+Y,0.5-Z SFAC C H Cl Mn N O DISP C 0.0033 0.0016 DISP Cl 0.1484 0.1585 DISP H 0 0 DISP Mn 0.3368 0.7283 DISP N 0.0061 0.0033 DISP O 0.0106 0.006 UNIT 56 68 4 4 8 4 L.S. 4 PLAN 2 SIZE 0.09 0.06 0.04 TEMP 23(2) CONF MORE -1 BOND $H fmap 2 ACTA REM REM REM WGHT 0.033300 0.587400 FVAR 0.46489 C1 1 0.841174 0.089801 0.105129 11.00000 0.01853 0.01977 = 0.01690 0.00091 0.00811 0.00311 C2 1 0.730697 0.025884 0.126014 11.00000 0.02047 0.01998 = 0.01775 0.00010 0.00819 0.00120 C3 1 0.655360 0.074035 0.188854 11.00000 0.01915 0.02209 = 0.02128 0.00407 0.00988 0.00156 H3 2 0.587045 0.030180 0.199367 11.00000 0.01353 C4 1 0.681065 0.182712 0.230717 11.00000 0.02142 0.02067 = 0.02013 0.00254 0.00993 0.00464 C5 1 0.785456 0.245553 0.206511 11.00000 0.02271 0.01705 = 0.02182 -0.00017 0.00927 0.00375 H5 2 0.806632 0.317635 0.231046 11.00000 0.02048 C6 1 0.866576 0.201882 0.146787 11.00000 0.01900 0.01897 = 0.01710 0.00271 0.00747 0.00290 C7 1 0.690611 -0.090382 0.089936 11.00000 0.01894 0.02418 = 0.01862 0.00107 0.00872 -0.00091 C8 1 0.604658 0.231534 0.302156 11.00000 0.03076 0.02221 = 0.03254 -0.00314 0.02071 0.00048 H8A 2 0.572716 0.313237 0.280116 11.00000 0.04730 H8B 2 0.669338 0.232415 0.374390 11.00000 0.04108 H8C 2 0.527426 0.186167 0.298125 11.00000 0.03486 C9 1 0.980424 0.277600 0.137875 11.00000 0.02227 0.01828 = 0.01858 0.00064 0.00821 0.00163 H9 2 0.972686 0.355187 0.163985 11.00000 0.00866 C10 1 1.192043 0.342559 0.113047 11.00000 0.02196 0.01827 = 0.02122 -0.00307 0.00909 -0.00316 H10A 2 1.280794 0.322761 0.173444 11.00000 0.02452 H10B 2 1.156762 0.414699 0.130312 11.00000 0.01781 C11 1 1.229108 0.359262 0.009876 11.00000 0.02325 0.01802 = 0.02048 -0.00138 0.00969 -0.00402 C12 1 1.090841 0.365014 -0.088982 11.00000 0.02937 0.02627 = 0.02333 0.00348 0.00751 -0.00263 H12A 2 1.112943 0.382070 -0.152518 11.00000 0.03308 H12B 2 1.026072 0.424100 -0.077223 11.00000 0.02889 H12C 2 1.037416 0.291892 -0.102061 11.00000 0.03513 C13 1 1.313656 0.471628 0.024285 11.00000 0.02999 0.02081 = 0.02920 -0.00309 0.01436 -0.00706 H13A 2 1.339623 0.488883 -0.039312 11.00000 0.02955 H13B 2 1.404563 0.470644 0.088051 11.00000 0.02842 H13C 2 1.253755 0.533234 0.031245 11.00000 0.03308 C14 1 1.331900 0.266193 -0.002955 11.00000 0.02323 0.02214 = 0.02447 -0.00467 0.01236 -0.00615 H14A 2 1.368738 0.286795 -0.060751 11.00000 0.01908 H14B 2 1.416450 0.259899 0.064572 11.00000 0.03220 CL1 3 1.303802 0.026561 0.234105 11.00000 0.02832 0.02496 = 0.02546 0.00371 0.01045 0.00096 H7 2 0.623129 -0.120782 0.118194 11.00000 0.02241 MN1 4 1.138083 0.083702 0.065969 11.00000 0.02025 0.01704 = 0.02033 -0.00230 0.01145 -0.00103 N1 5 1.085040 0.252744 0.105131 11.00000 0.01883 0.01830 = 0.02044 -0.00005 0.00855 -0.00074 N2 5 1.266001 0.151559 -0.026803 11.00000 0.01931 0.01902 = 0.02024 -0.00153 0.00827 -0.00119 O1 6 0.918995 0.046145 0.050636 11.00000 0.02159 0.02245 = 0.02394 -0.00665 0.01352 -0.00293 HKLF 4 REM MNDI OLEX2: imported from CIF REM R1 = 0.0309 for 2556 Fo > 4sig(Fo) and 0.0466 for all 3219 data REM 240 parameters refined using 0 restraints END WGHT 0.0333 0.5874 REM Highest difference peak 0.390, deepest hole -0.266, 1-sigma level 0.062 Q1 1 0.7361 -0.0355 0.1274 11.00000 0.05 0.39 Q2 1 1.2114 0.3551 0.0621 11.00000 0.05 0.31 ; _shelx_res_checksum 37802 _olex2_submission_special_instructions 'No special instructions were received' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.8412(2) 0.08980(16) 0.10513(16) 0.0179(4) Uani 1 1 d . . . . . C2 C 0.7307(2) 0.02588(16) 0.12601(16) 0.0190(4) Uani 1 1 d . . . . . C3 C 0.6554(2) 0.07404(17) 0.18885(16) 0.0201(4) Uani 1 1 d . . . . . H3 H 0.587(2) 0.0302(17) 0.1994(16) 0.014(5) Uiso 1 1 d . . . . . C4 C 0.6811(2) 0.18271(17) 0.23072(16) 0.0200(4) Uani 1 1 d . . . . . C5 C 0.7855(2) 0.24555(17) 0.20651(16) 0.0201(4) Uani 1 1 d . . . . . H5 H 0.807(2) 0.318(2) 0.2310(17) 0.020(6) Uiso 1 1 d . . . . . C6 C 0.8666(2) 0.20188(16) 0.14679(16) 0.0180(4) Uani 1 1 d . . . . . C7 C 0.6906(2) -0.09038(17) 0.08994(16) 0.0200(4) Uani 1 1 d . . . . . C8 C 0.6047(3) 0.23153(19) 0.3022(2) 0.0259(5) Uani 1 1 d . . . . . H8A H 0.573(3) 0.313(2) 0.280(2) 0.047(8) Uiso 1 1 d . . . . . H8B H 0.669(3) 0.232(2) 0.374(2) 0.041(8) Uiso 1 1 d . . . . . H8C H 0.527(3) 0.186(2) 0.298(2) 0.035(7) Uiso 1 1 d . . . . . C9 C 0.9804(2) 0.27760(16) 0.13788(16) 0.0194(4) Uani 1 1 d . . . . . H9 H 0.973(2) 0.3552(17) 0.1640(15) 0.009(5) Uiso 1 1 d . . . . . C10 C 1.1920(2) 0.34256(17) 0.11305(17) 0.0201(4) Uani 1 1 d . . . . . H10A H 1.281(2) 0.3228(19) 0.1734(19) 0.025(6) Uiso 1 1 d . . . . . H10B H 1.157(2) 0.4147(18) 0.1303(17) 0.018(5) Uiso 1 1 d . . . . . C11 C 1.2291(2) 0.35926(16) 0.00988(16) 0.0200(4) Uani 1 1 d . . . . . C12 C 1.0908(3) 0.3650(2) -0.08898(19) 0.0268(5) Uani 1 1 d . . . . . H12A H 1.113(3) 0.382(2) -0.153(2) 0.033(7) Uiso 1 1 d . . . . . H12B H 1.026(3) 0.424(2) -0.0772(19) 0.029(6) Uiso 1 1 d . . . . . H12C H 1.037(3) 0.292(2) -0.1021(19) 0.035(7) Uiso 1 1 d . . . . . C13 C 1.3137(3) 0.47163(18) 0.0243(2) 0.0256(5) Uani 1 1 d . . . . . H13A H 1.340(2) 0.489(2) -0.039(2) 0.030(6) Uiso 1 1 d . . . . . H13B H 1.405(3) 0.4706(19) 0.088(2) 0.028(6) Uiso 1 1 d . . . . . H13C H 1.254(3) 0.533(2) 0.0312(19) 0.033(7) Uiso 1 1 d . . . . . C14 C 1.3319(2) 0.26619(17) -0.00296(19) 0.0222(4) Uani 1 1 d . . . . . H14A H 1.369(2) 0.2868(18) -0.0608(17) 0.019(5) Uiso 1 1 d . . . . . H14B H 1.416(3) 0.260(2) 0.065(2) 0.032(7) Uiso 1 1 d . . . . . Cl1 Cl 1.30380(6) 0.02656(4) 0.23411(4) 0.02597(13) Uani 1 1 d . . . . . H7 H 0.623(2) -0.1208(19) 0.1182(18) 0.022(6) Uiso 1 1 d . . . . . Mn1 Mn 1.13808(3) 0.08370(2) 0.06597(2) 0.01805(9) Uani 1 1 d . . . . . N1 N 1.08504(18) 0.25274(13) 0.10513(13) 0.0187(4) Uani 1 1 d . . . . . N2 N 1.26600(18) 0.15156(14) -0.02680(13) 0.0192(4) Uani 1 1 d . . . . . O1 O 0.91899(15) 0.04615(11) 0.05064(11) 0.0212(3) 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 C1 0.0185(10) 0.0198(9) 0.0169(10) 0.0009(8) 0.0081(8) 0.0031(8) C2 0.0205(10) 0.0200(10) 0.0178(10) 0.0001(8) 0.0082(9) 0.0012(8) C3 0.0192(10) 0.0221(10) 0.0213(10) 0.0041(8) 0.0099(9) 0.0016(8) C4 0.0214(11) 0.0207(10) 0.0201(10) 0.0025(8) 0.0099(9) 0.0046(8) C5 0.0227(11) 0.0171(10) 0.0218(11) -0.0002(8) 0.0093(9) 0.0038(8) C6 0.0190(10) 0.0190(9) 0.0171(10) 0.0027(8) 0.0075(8) 0.0029(8) C7 0.0189(10) 0.0242(10) 0.0186(10) 0.0011(8) 0.0087(9) -0.0009(8) C8 0.0308(13) 0.0222(11) 0.0325(14) -0.0031(9) 0.0207(12) 0.0005(9) C9 0.0223(11) 0.0183(10) 0.0186(10) 0.0006(8) 0.0082(9) 0.0016(8) C10 0.0220(11) 0.0183(10) 0.0212(11) -0.0031(8) 0.0091(10) -0.0032(8) C11 0.0232(11) 0.0180(9) 0.0205(11) -0.0014(8) 0.0097(9) -0.0040(8) C12 0.0294(13) 0.0263(11) 0.0233(12) 0.0035(9) 0.0075(10) -0.0026(10) C13 0.0300(13) 0.0208(11) 0.0292(13) -0.0031(9) 0.0144(11) -0.0071(9) C14 0.0232(12) 0.0221(10) 0.0245(12) -0.0047(9) 0.0124(10) -0.0061(8) Cl1 0.0283(3) 0.0250(3) 0.0255(3) 0.0037(2) 0.0105(2) 0.0010(2) Mn1 0.02025(17) 0.01704(15) 0.02033(17) -0.00230(12) 0.01145(13) -0.00103(12) N1 0.0188(9) 0.0183(8) 0.0204(9) -0.0001(7) 0.0085(7) -0.0007(7) N2 0.0193(9) 0.0190(8) 0.0202(9) -0.0015(7) 0.0083(7) -0.0012(7) O1 0.0216(8) 0.0225(7) 0.0239(8) -0.0066(6) 0.0135(6) -0.0029(6) 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' Cl Cl 0.1484 0.1585 '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' N N 0.0061 0.0033 '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' 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 C6 C1 C2 117.35(17) . . ? O1 C1 C2 121.50(17) . . ? O1 C1 C6 121.14(17) . . ? C1 C2 C7 124.74(17) . . ? C3 C2 C1 119.48(18) . . ? C3 C2 C7 115.74(17) . . ? C2 C3 H3 115.7(13) . . ? C4 C3 C2 123.31(19) . . ? C4 C3 H3 121.0(13) . . ? C3 C4 C5 116.59(18) . . ? C3 C4 C8 122.86(18) . . ? C5 C4 C8 120.52(18) . . ? C4 C5 H5 120.8(13) . . ? C4 C5 C6 122.93(19) . . ? C6 C5 H5 116.2(13) . . ? C1 C6 C9 124.80(17) . . ? C5 C6 C1 120.27(18) . . ? C5 C6 C9 114.84(17) . . ? C2 C7 H7 112.1(14) . . ? N2 C7 C2 128.90(18) 3_755 . ? N2 C7 H7 119.0(14) 3_755 . ? C4 C8 H8A 110.5(15) . . ? C4 C8 H8B 109.4(16) . . ? C4 C8 H8C 108.8(15) . . ? H8A C8 H8B 108(2) . . ? H8A C8 H8C 112(2) . . ? H8B C8 H8C 108(2) . . ? C6 C9 H9 112.4(11) . . ? N1 C9 C6 127.65(18) . . ? N1 C9 H9 119.9(11) . . ? H10A C10 H10B 107.6(18) . . ? C11 C10 H10A 109.5(13) . . ? C11 C10 H10B 108.0(12) . . ? N1 C10 H10A 107.1(13) . . ? N1 C10 H10B 110.1(12) . . ? N1 C10 C11 114.38(16) . . ? C12 C11 C10 110.56(17) . . ? C12 C11 C13 110.33(18) . . ? C12 C11 C14 110.98(18) . . ? C13 C11 C10 106.49(16) . . ? C13 C11 C14 106.42(16) . . ? C14 C11 C10 111.88(17) . . ? C11 C12 H12A 110.8(14) . . ? C11 C12 H12B 108.9(14) . . ? C11 C12 H12C 111.6(14) . . ? H12A C12 H12B 110(2) . . ? H12A C12 H12C 107(2) . . ? H12B C12 H12C 108.1(19) . . ? C11 C13 H13A 111.3(14) . . ? C11 C13 H13B 112.4(13) . . ? C11 C13 H13C 110.1(15) . . ? H13A C13 H13B 107.8(19) . . ? H13A C13 H13C 106(2) . . ? H13B C13 H13C 109(2) . . ? C11 C14 H14A 110.0(12) . . ? C11 C14 H14B 109.2(14) . . ? H14A C14 H14B 107.6(18) . . ? N2 C14 C11 114.84(17) . . ? N2 C14 H14A 108.1(12) . . ? N2 C14 H14B 106.8(14) . . ? N1 Mn1 Cl1 100.49(5) . . ? N1 Mn1 N2 91.73(6) . . ? N2 Mn1 Cl1 107.07(5) . . ? O1 Mn1 Cl1 111.74(4) . . ? O1 Mn1 Cl1 113.79(4) 3_755 . ? O1 Mn1 N1 84.02(6) . . ? O1 Mn1 N1 145.02(6) 3_755 . ? O1 Mn1 N2 141.09(6) . . ? O1 Mn1 N2 85.00(6) 3_755 . ? O1 Mn1 O1 77.22(5) 3_755 . ? C9 N1 C10 116.61(17) . . ? C9 N1 Mn1 125.40(13) . . ? C10 N1 Mn1 117.07(12) . . ? C7 N2 C14 115.57(17) 3_755 . ? C7 N2 Mn1 122.98(14) 3_755 . ? C14 N2 Mn1 120.40(12) . . ? C1 O1 Mn1 128.39(12) . . ? C1 O1 Mn1 128.75(12) . 3_755 ? Mn1 O1 Mn1 102.78(5) 3_755 . ? 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 C1 C2 1.422(3) . ? C1 C6 1.418(3) . ? C1 O1 1.322(2) . ? C2 C3 1.408(3) . ? C2 C7 1.458(3) . ? C3 H3 0.89(2) . ? C3 C4 1.382(3) . ? C4 C5 1.387(3) . ? C4 C8 1.508(3) . ? C5 H5 0.91(2) . ? C5 C6 1.399(3) . ? C6 C9 1.464(3) . ? C7 H7 0.94(2) . ? C7 N2 1.282(2) 3_755 ? C8 H8A 1.02(3) . ? C8 H8B 0.94(3) . ? C8 H8C 0.91(3) . ? C9 H9 0.989(19) . ? C9 N1 1.278(2) . ? C10 H10A 0.98(2) . ? C10 H10B 0.97(2) . ? C10 C11 1.541(3) . ? C10 N1 1.467(2) . ? C11 C12 1.518(3) . ? C11 C13 1.537(3) . ? C11 C14 1.537(3) . ? C12 H12A 0.96(2) . ? C12 H12B 0.99(2) . ? C12 H12C 0.99(3) . ? C13 H13A 0.98(2) . ? C13 H13B 0.99(2) . ? C13 H13C 0.96(3) . ? C14 H14A 0.98(2) . ? C14 H14B 0.98(2) . ? C14 N2 1.482(2) . ? Cl1 Mn1 2.3437(6) . ? Mn1 N1 2.1655(16) . ? Mn1 N2 2.1872(16) . ? Mn1 O1 2.1025(14) 3_755 ? Mn1 O1 2.1292(14) . ? 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 C1 C2 C3 C4 1.2(3) . . . . ? C1 C2 C7 N2 -7.2(4) . . . 3_755 ? C1 C6 C9 N1 -9.7(3) . . . . ? C2 C1 C6 C5 0.5(3) . . . . ? C2 C1 C6 C9 176.77(19) . . . . ? C2 C1 O1 Mn1 -149.62(15) . . . . ? C2 C1 O1 Mn1 26.5(3) . . . 3_755 ? C2 C3 C4 C5 1.0(3) . . . . ? C2 C3 C4 C8 -177.1(2) . . . . ? C3 C2 C7 N2 175.0(2) . . . 3_755 ? C3 C4 C5 C6 -2.6(3) . . . . ? C4 C5 C6 C1 1.9(3) . . . . ? C4 C5 C6 C9 -174.77(19) . . . . ? C5 C6 C9 N1 166.8(2) . . . . ? C6 C1 C2 C3 -1.9(3) . . . . ? C6 C1 C2 C7 -179.69(19) . . . . ? C6 C1 O1 Mn1 -154.62(14) . . . 3_755 ? C6 C1 O1 Mn1 29.2(3) . . . . ? C6 C9 N1 C10 -174.81(19) . . . . ? C6 C9 N1 Mn1 -6.1(3) . . . . ? C7 C2 C3 C4 179.18(19) . . . . ? C8 C4 C5 C6 175.6(2) . . . . ? C10 C11 C14 N2 68.8(2) . . . . ? C11 C10 N1 C9 -132.52(19) . . . . ? C11 C10 N1 Mn1 57.8(2) . . . . ? C11 C14 N2 C7 144.96(19) . . . 3_755 ? C11 C14 N2 Mn1 -46.5(2) . . . . ? C12 C11 C14 N2 -55.2(2) . . . . ? C13 C11 C14 N2 -175.29(18) . . . . ? N1 C10 C11 C12 47.7(2) . . . . ? N1 C10 C11 C13 167.60(18) . . . . ? N1 C10 C11 C14 -76.5(2) . . . . ? O1 C1 C2 C3 176.96(18) . . . . ? O1 C1 C2 C7 -0.8(3) . . . . ? O1 C1 C6 C5 -178.43(18) . . . . ? O1 C1 C6 C9 -2.1(3) . . . . ?