#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/26/7022638.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_7022638
loop_
_publ_author_name
'Cho, Kyung Jin'
'Ryu, Dae Won'
'Lim, Kwang Soo'
'Lee, Woo Ram'
'Lee, Jin Wuk'
'Koh, Eui Kwan'
'Hong, Chang Seop'
_publ_section_title
;
 Syntheses, structures, and magnetic properties of cyano- and
 phenoxide-bridged Fe(III)-Mn(III) tetrameric assemblies formed by blocked
 fac-Fe tricyanide with aliphatic rings.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5796
_journal_page_last               5804
_journal_paper_doi               10.1039/c3dt32563f
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C86 H92 B2 Cl4 Fe2 Mn2 N22 O4'
_chemical_formula_weight         1882.82
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.70(3)
_cell_angle_beta                 101.74(3)
_cell_angle_gamma                112.78(3)
_cell_formula_units_Z            1
_cell_length_a                   12.711(3)
_cell_length_b                   13.004(3)
_cell_length_c                   15.439(3)
_cell_measurement_reflns_used    10846
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.37
_cell_measurement_theta_min      2.19
_cell_volume                     2086.3(13)
_computing_cell_refinement       HKL2000
_computing_data_collection       'PAL ADSC Quantum-210'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.521
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Pt coated Si double crystal'
_diffrn_radiation_source         'Fixed gap multipole wiggler beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.85000
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0833
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6175
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         36.37
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.9967
_exptl_absorpt_correction_T_min  0.8513
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000-Scalepack
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triclinic
_exptl_crystal_F_000             974
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.008
_exptl_crystal_size_min          0.004
_refine_diff_density_max         0.838
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         6175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1787P)²+0.0227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1989
_refine_ls_wR_factor_ref         0.2493
_reflns_number_gt                4328
_reflns_number_total             6175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32563f.txt
_cod_data_source_block           p-1
_cod_original_cell_volume        2086.4(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7022638
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Fe1 Fe 0.35830(9) 0.65222(8) 0.24229(7) 0.0251(3) Uani 1 1 d .
C1 C 0.2448(7) 0.6147(6) 0.3067(5) 0.0298(16) Uani 1 1 d .
C2 C 0.3732(7) 0.5129(7) 0.2512(5) 0.0329(17) Uani 1 1 d .
C3 C 0.4911(7) 0.7453(6) 0.3720(6) 0.0308(17) Uani 1 1 d .
N1 N 0.1764(5) 0.5944(5) 0.3457(4) 0.0299(14) Uani 1 1 d .
N2 N 0.3832(6) 0.4326(6) 0.2620(5) 0.0406(16) Uani 1 1 d .
N3 N 0.5661(6) 0.7944(6) 0.4454(5) 0.0396(16) Uani 1 1 d .
N4 N 0.4837(5) 0.6903(5) 0.1769(4) 0.0275(14) Uani 1 1 d .
N5 N 0.4580(5) 0.7267(5) 0.1041(4) 0.0266(13) Uani 1 1 d .
C4 C 0.6432(8) 0.6418(8) 0.2511(6) 0.047(2) Uani 1 1 d .
H4A H 0.6503 0.6892 0.3169 0.071 Uiso 1 1 calc R
H4B H 0.7249 0.6576 0.2505 0.071 Uiso 1 1 calc R
H4C H 0.5920 0.5538 0.2320 0.071 Uiso 1 1 calc R
C5 C 0.5857(7) 0.6797(7) 0.1803(5) 0.0332(18) Uani 1 1 d .
C6 C 0.6250(7) 0.7091(7) 0.1094(6) 0.0384(19) Uani 1 1 d .
C7 C 0.7177(10) 0.7113(11) 0.0614(8) 0.070(3) Uani 1 1 d .
H7A H 0.7074 0.6278 0.0288 0.084 Uiso 1 1 calc R
H7B H 0.8026 0.7668 0.1093 0.084 Uiso 1 1 calc R
C8 C 0.6866(8) 0.7606(8) -0.0131(6) 0.045(2) Uani 1 1 d .
H8A H 0.6799 0.7076 -0.0777 0.054 Uiso 1 1 calc R
H8B H 0.7533 0.8449 0.0073 0.054 Uiso 1 1 calc R
C9 C 0.5643(8) 0.7630(9) -0.0213(7) 0.054(2) Uani 1 1 d .
H9A H 0.5728 0.8446 -0.0136 0.064 Uiso 1 1 calc R
H9B H 0.4977 0.6987 -0.0840 0.064 Uiso 1 1 calc R
C10 C 0.5437(7) 0.7364(7) 0.0633(5) 0.0351(18) Uani 1 1 d .
N6 N 0.2276(5) 0.5531(5) 0.1107(4) 0.0278(14) Uani 1 1 d .
N7 N 0.2350(5) 0.6038(5) 0.0434(4) 0.0278(13) Uani 1 1 d .
C11 C 0.0918(7) 0.3461(6) 0.1062(6) 0.0383(19) Uani 1 1 d .
H11A H 0.1458 0.3091 0.1091 0.057 Uiso 1 1 calc R
H11B H 0.0072 0.2813 0.0658 0.057 Uiso 1 1 calc R
H11C H 0.0964 0.3888 0.1724 0.057 Uiso 1 1 calc R
C12 C 0.1317(6) 0.4367(6) 0.0622(5) 0.0286(16) Uani 1 1 d .
C13 C 0.0804(6) 0.4124(6) -0.0349(5) 0.0287(16) Uani 1 1 d .
C14 C -0.0141(8) 0.3155(8) -0.1307(6) 0.048(2) Uani 1 1 d .
H14A H -0.0963 0.3071 -0.1362 0.058 Uiso 1 1 calc R
H14B H -0.0173 0.2349 -0.1431 0.058 Uiso 1 1 calc R
C15 C 0.0363(9) 0.3700(8) -0.2022(6) 0.058(2) Uani 1 1 d .
H15A H 0.0884 0.3362 -0.2247 0.070 Uiso 1 1 calc R
H15B H -0.0328 0.3477 -0.2601 0.070 Uiso 1 1 calc R
C16 C 0.1126(7) 0.5127(7) -0.1441(5) 0.0373(18) Uani 1 1 d .
H16A H 0.1851 0.5480 -0.1615 0.045 Uiso 1 1 calc R
H16B H 0.0624 0.5537 -0.1527 0.045 Uiso 1 1 calc R
C17 C 0.1474(6) 0.5179(6) -0.0432(5) 0.0272(16) Uani 1 1 d .
N8 N 0.3430(5) 0.8012(5) 0.2458(4) 0.0263(13) Uani 1 1 d .
N9 N 0.3366(5) 0.8224(5) 0.1624(4) 0.0269(13) Uani 1 1 d .
C18 C 0.3288(7) 0.9002(6) 0.4083(5) 0.0320(17) Uani 1 1 d .
H18A H 0.2456 0.8478 0.4027 0.048 Uiso 1 1 calc R
H18B H 0.3559 0.9860 0.4510 0.048 Uiso 1 1 calc R
H18C H 0.3845 0.8736 0.4359 0.048 Uiso 1 1 calc R
C19 C 0.3295(6) 0.8901(6) 0.3095(5) 0.0264(16) Uani 1 1 d .
C20 C 0.3204(6) 0.9688(6) 0.2686(5) 0.0266(15) Uani 1 1 d .
C21 C 0.3023(8) 1.0816(7) 0.2877(6) 0.0390(19) Uani 1 1 d .
H21A H 0.3618 1.1501 0.3516 0.047 Uiso 1 1 calc R
H21B H 0.2180 1.0622 0.2850 0.047 Uiso 1 1 calc R
C22 C 0.3270(8) 1.1123(7) 0.2000(6) 0.042(2) Uani 1 1 d .
H22A H 0.2701 1.1399 0.1743 0.050 Uiso 1 1 calc R
H22B H 0.4122 1.1786 0.2220 0.050 Uiso 1 1 calc R
C23 C 0.3060(8) 0.9903(7) 0.1184(6) 0.042(2) Uani 1 1 d .
H23A H 0.2222 0.9443 0.0683 0.050 Uiso 1 1 calc R
H23B H 0.3668 1.0076 0.0864 0.050 Uiso 1 1 calc R
C24 C 0.3239(6) 0.9242(6) 0.1770(5) 0.0305(17) Uani 1 1 d .
B1 B 0.3399(8) 0.7323(7) 0.0735(6) 0.0287(19) Uani 1 1 d .
H1 H 0.3331 0.7576 0.0184 0.034 Uiso 1 1 calc R
Mn1 Mn 0.10866(9) 0.59091(9) 0.46631(7) 0.0261(3) Uani 1 1 d .
N10 N 0.2245(5) 0.5284(5) 0.4988(4) 0.0284(13) Uani 1 1 d .
N11 N 0.2425(5) 0.7540(5) 0.5676(4) 0.0296(14) Uani 1 1 d .
O1 O -0.0224(4) 0.4269(4) 0.4035(3) 0.0273(11) Uani 1 1 d .
O2 O 0.0129(4) 0.6605(4) 0.4351(3) 0.0306(11) Uani 1 1 d .
C25 C 0.3125(7) 0.6063(7) 0.6761(5) 0.0400(19) Uani 1 1 d .
H25A H 0.2345 0.6039 0.6761 0.060 Uiso 1 1 calc R
H25B H 0.3791 0.6750 0.7358 0.060 Uiso 1 1 calc R
H25C H 0.3089 0.5287 0.6737 0.060 Uiso 1 1 calc R
C26 C 0.3356(6) 0.6235(6) 0.5877(5) 0.0333(17) Uani 1 1 d .
H26 H 0.4072 0.6112 0.5818 0.040 Uiso 1 1 calc R
C27 C 0.3601(7) 0.7496(6) 0.5908(5) 0.0364(19) Uani 1 1 d .
H27A H 0.4177 0.8149 0.6566 0.044 Uiso 1 1 calc R
H27B H 0.3980 0.7645 0.5428 0.044 Uiso 1 1 calc R
C28 C 0.3181(7) 0.3926(7) 0.4670(5) 0.0343(18) Uani 1 1 d .
H28A H 0.3713 0.4179 0.4313 0.051 Uiso 1 1 calc R
H28B H 0.2828 0.3035 0.4466 0.051 Uiso 1 1 calc R
H28C H 0.3662 0.4357 0.5373 0.051 Uiso 1 1 calc R
C29 C 0.2155(7) 0.4246(7) 0.4450(5) 0.0316(17) Uani 1 1 d .
C30 C 0.1031(6) 0.3361(6) 0.3568(5) 0.0285(17) Uani 1 1 d .
C31 C 0.1052(7) 0.2380(6) 0.2856(5) 0.0300(17) Uani 1 1 d .
H31 H 0.1785 0.2322 0.2956 0.036 Uiso 1 1 calc R
C32 C 0.0043(7) 0.1514(6) 0.2028(5) 0.0335(18) Uani 1 1 d .
C33 C -0.1049(7) 0.1557(6) 0.1886(5) 0.0335(18) Uani 1 1 d .
H33 H -0.1758 0.0939 0.1328 0.040 Uiso 1 1 calc R
C34 C -0.1102(7) 0.2506(6) 0.2563(5) 0.0313(17) Uani 1 1 d .
H34 H -0.1848 0.2542 0.2455 0.038 Uiso 1 1 calc R
C35 C -0.0081(6) 0.3407(6) 0.3400(5) 0.0274(16) Uani 1 1 d .
C36 C 0.3548(7) 0.9771(7) 0.6678(6) 0.0399(19) Uani 1 1 d .
H36A H 0.3640 0.9923 0.7358 0.060 Uiso 1 1 calc R
H36B H 0.3487 1.0444 0.6552 0.060 Uiso 1 1 calc R
H36C H 0.4261 0.9724 0.6562 0.060 Uiso 1 1 calc R
C37 C 0.2404(7) 0.8574(6) 0.6006(5) 0.0303(17) Uani 1 1 d .
C38 C 0.1249(7) 0.8608(6) 0.5728(5) 0.0305(17) Uani 1 1 d .
C39 C 0.1157(8) 0.9639(7) 0.6294(6) 0.039(2) Uani 1 1 d .
H39 H 0.1852 1.0311 0.6837 0.047 Uiso 1 1 calc R
C40 C 0.0057(8) 0.9668(7) 0.6059(6) 0.038(2) Uani 1 1 d .
C41 C -0.0961(8) 0.8737(7) 0.5251(6) 0.042(2) Uani 1 1 d .
H41 H -0.1694 0.8791 0.5087 0.051 Uiso 1 1 calc R
C42 C -0.0899(7) 0.7735(7) 0.4689(6) 0.0356(18) Uani 1 1 d .
H42 H -0.1598 0.7092 0.4134 0.043 Uiso 1 1 calc R
C43 C 0.0189(7) 0.7639(6) 0.4920(5) 0.0313(18) Uani 1 1 d .
Cl1 Cl 0.01124(19) 0.03578(17) 0.11666(14) 0.0451(5) Uani 1 1 d .
Cl2 Cl -0.0018(2) 1.09192(18) 0.68076(16) 0.0507(6) Uani 1 1 d .
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'
B B 0.0013 0.0007 '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'
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'
Fe Fe 0.3463 0.8444 '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_3
C1 Fe1 C2 84.7(3) .
C1 Fe1 C3 87.9(3) .
C2 Fe1 C3 83.6(3) .
C1 Fe1 N6 93.0(3) .
C2 Fe1 N6 94.0(3) .
C3 Fe1 N6 177.4(3) .
C1 Fe1 N8 91.3(3) .
C2 Fe1 N8 174.6(3) .
C3 Fe1 N8 92.7(3) .
N6 Fe1 N8 89.7(2) .
C1 Fe1 N4 177.6(3) .
C2 Fe1 N4 93.4(3) .
C3 Fe1 N4 90.5(3) .
N6 Fe1 N4 88.5(2) .
N8 Fe1 N4 90.5(2) .
N1 C1 Fe1 178.6(6) .
N2 C2 Fe1 176.2(6) .
N3 C3 Fe1 177.6(6) .
C1 N1 Mn1 159.1(6) .
C5 N4 N5 107.5(5) .
C5 N4 Fe1 136.1(5) .
N5 N4 Fe1 116.1(4) .
C10 N5 N4 107.9(6) .
C10 N5 B1 131.0(6) .
N4 N5 B1 120.5(5) .
N4 C5 C6 108.9(6) .
N4 C5 C4 123.5(6) .
C6 C5 C4 127.6(7) .
C10 C6 C5 106.2(6) .
C10 C6 C7 110.8(7) .
C5 C6 C7 142.7(8) .
C6 C7 C8 102.2(7) .
C7 C8 C9 110.5(6) .
C10 C9 C8 100.2(7) .
N5 C10 C6 109.5(6) .
N5 C10 C9 135.2(7) .
C6 C10 C9 115.2(7) .
C12 N6 N7 106.6(5) .
C12 N6 Fe1 135.8(5) .
N7 N6 Fe1 117.3(4) .
C17 N7 N6 108.1(5) .
C17 N7 B1 132.0(6) .
N6 N7 B1 119.6(5) .
N6 C12 C13 109.5(6) .
N6 C12 C11 125.0(6) .
C13 C12 C11 125.4(6) .
C17 C13 C12 105.6(6) .
C17 C13 C14 110.7(7) .
C12 C13 C14 143.7(7) .
C13 C14 C15 100.5(6) .
C16 C15 C14 107.6(7) .
C17 C16 C15 98.0(6) .
N7 C17 C13 110.2(6) .
N7 C17 C16 134.0(6) .
C13 C17 C16 115.7(6) .
C19 N8 N9 106.5(5) .
C19 N8 Fe1 136.4(4) .
N9 N8 Fe1 117.0(4) .
C24 N9 N8 108.8(5) .
C24 N9 B1 131.8(6) .
N8 N9 B1 119.4(5) .
N8 C19 C20 109.2(6) .
N8 C19 C18 124.2(6) .
C20 C19 C18 126.6(6) .
C24 C20 C19 106.8(6) .
C24 C20 C21 110.8(6) .
C19 C20 C21 142.3(6) .
C20 C21 C22 100.9(6) .
C23 C22 C21 107.0(6) .
C24 C23 C22 100.7(6) .
N9 C24 C20 108.7(6) .
N9 C24 C23 136.0(7) .
C20 C24 C23 115.2(6) .
N5 B1 N7 106.7(6) .
N5 B1 N9 108.5(6) .
N7 B1 N9 108.2(5) .
O2 Mn1 O1 95.0(2) .
O2 Mn1 N11 91.1(2) .
O1 Mn1 N11 162.7(2) .
O2 Mn1 N10 174.6(2) .
O1 Mn1 N10 89.5(2) .
N11 Mn1 N10 85.5(2) .
O2 Mn1 N1 93.5(2) .
O1 Mn1 N1 98.8(2) .
N11 Mn1 N1 97.0(2) .
N10 Mn1 N1 82.9(2) .
O2 Mn1 O1 87.11(19) 2_566
O1 Mn1 O1 77.64(19) 2_566
N11 Mn1 O1 86.47(19) 2_566
N10 Mn1 O1 96.8(2) 2_566
N1 Mn1 O1 176.43(18) 2_566
C29 N10 C26 122.2(7) .
C29 N10 Mn1 125.7(5) .
C26 N10 Mn1 111.6(4) .
C37 N11 C27 121.2(6) .
C37 N11 Mn1 128.4(5) .
C27 N11 Mn1 109.5(4) .
C35 O1 Mn1 118.1(4) .
C35 O1 Mn1 127.4(4) 2_566
Mn1 O1 Mn1 102.36(19) 2_566
C43 O2 Mn1 127.4(5) .
N10 C26 C25 108.4(6) .
N10 C26 C27 107.5(6) .
C25 C26 C27 114.0(6) .
N11 C27 C26 109.7(6) .
N10 C29 C30 118.8(7) .
N10 C29 C28 122.3(7) .
C30 C29 C28 118.8(6) .
C35 C30 C31 117.4(6) .
C35 C30 C29 124.0(6) .
C31 C30 C29 118.6(7) .
C32 C31 C30 122.0(7) .
C31 C32 C33 119.9(7) .
C31 C32 Cl1 120.7(6) .
C33 C32 Cl1 119.4(6) .
C32 C33 C34 119.7(7) .
C33 C34 C35 121.2(7) .
O1 C35 C34 117.3(7) .
O1 C35 C30 122.8(6) .
C34 C35 C30 119.9(7) .
N11 C37 C38 120.4(6) .
N11 C37 C36 121.8(7) .
C38 C37 C36 117.7(6) .
C43 C38 C39 117.4(7) .
C43 C38 C37 122.9(6) .
C39 C38 C37 119.7(7) .
C40 C39 C38 120.5(7) .
C41 C40 C39 121.7(7) .
C41 C40 Cl2 120.0(7) .
C39 C40 Cl2 118.4(6) .
C42 C41 C40 119.1(8) .
C41 C42 C43 121.3(8) .
O2 C43 C38 123.9(7) .
O2 C43 C42 116.2(6) .
C38 C43 C42 119.9(7) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C1 1.909(7) .
Fe1 C2 1.936(8) .
Fe1 C3 1.973(8) .
Fe1 N6 1.981(6) .
Fe1 N8 2.007(6) .
Fe1 N4 2.037(6) .
C1 N1 1.149(9) .
C2 N2 1.155(9) .
C3 N3 1.119(9) .
N1 Mn1 2.210(6) .
N4 C5 1.349(9) .
N4 N5 1.374(8) .
N5 C10 1.349(9) .
N5 B1 1.516(11) .
C4 C5 1.501(11) .
C5 C6 1.387(10) .
C6 C10 1.358(11) .
C6 C7 1.510(11) .
C7 C8 1.533(12) .
C8 C9 1.548(12) .
C9 C10 1.495(10) .
N6 C12 1.360(8) .
N6 N7 1.390(7) .
N7 C17 1.341(9) .
N7 B1 1.528(9) .
C11 C12 1.507(9) .
C12 C13 1.388(10) .
C13 C17 1.368(9) .
C13 C14 1.481(10) .
C14 C15 1.594(12) .
C15 C16 1.558(11) .
C16 C17 1.504(10) .
N8 C19 1.365(9) .
N8 N9 1.390(7) .
N9 C24 1.352(9) .
N9 B1 1.530(9) .
C18 C19 1.493(9) .
C19 C20 1.383(9) .
C20 C24 1.373(9) .
C20 C21 1.522(10) .
C21 C22 1.580(10) .
C22 C23 1.579(11) .
C23 C24 1.467(10) .
Mn1 O2 1.847(5) .
Mn1 O1 1.897(4) .
Mn1 N11 1.986(6) .
Mn1 N10 1.990(6) .
Mn1 O1 2.505(4) 2_566
N10 C29 1.297(9) .
N10 C26 1.495(9) .
N11 C37 1.298(9) .
N11 C27 1.492(10) .
O1 C35 1.348(8) .
O1 Mn1 2.505(4) 2_566
O2 C43 1.327(8) .
C25 C26 1.516(10) .
C26 C27 1.530(10) .
C28 C29 1.522(11) .
C29 C30 1.485(10) .
C30 C35 1.411(10) .
C30 C31 1.421(10) .
C31 C32 1.373(10) .
C32 C33 1.386(11) .
C32 Cl1 1.725(7) .
C33 C34 1.389(10) .
C34 C35 1.395(10) .
C36 C37 1.505(10) .
C37 C38 1.465(11) .
C38 C43 1.416(10) .
C38 C39 1.424(10) .
C39 C40 1.390(12) .
C40 C41 1.382(12) .
C40 Cl2 1.735(8) .
C41 C42 1.370(11) .
C42 C43 1.420(11) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139160130
