#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:46:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179423 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/20/4332095.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332095
loop_
_publ_author_name
'Jiang, Long'
'Feng, Xiao-Long'
'Lu, Tong-Bu'
'Gao, Song'
_publ_section_title
;
 Synthesis, Structures, and Magnetic Properties of a Series of
 Cyano-Bridged Fe−Mn Bimetallic Complexes
;
_journal_issue                   13
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5018
_journal_page_last               5026
_journal_paper_doi               10.1021/ic052168x
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C84 H64 Cl4 Fe2 Mn2 N20 O16'
_chemical_formula_weight         1972.93
_chemical_name_systematic
; 
 ? 
;
_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                109.512(9)
_cell_angle_beta                 99.215(9)
_cell_angle_gamma                90.975(9)
_cell_formula_units_Z            1
_cell_length_a                   12.880(7)
_cell_length_b                   13.470(7)
_cell_length_c                   13.710(7)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.52
_cell_volume                     2207(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13828
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.800
_exptl_absorpt_correction_T_max  0.8629
_exptl_absorpt_correction_T_min  0.7299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.832
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         7455
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0741
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1248P)²+4.7348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2020
_refine_ls_wR_factor_ref         0.2238
_reflns_number_gt                5400
_reflns_number_total             7455
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic052168xsup1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332095
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.08207(6) 0.24624(6) -0.15385(6) 0.0334(2) Uani 1 1 d . . .
Mn1 Mn 0.25729(6) 0.58764(7) 0.14063(6) 0.0363(3) Uani 1 1 d . . .
N3 N -0.0020(4) 0.1248(4) -0.2719(4) 0.0394(11) Uani 1 1 d . . .
N4 N 0.0579(3) 0.3105(4) -0.2653(4) 0.0398(11) Uani 1 1 d . . .
N2 N 0.2149(4) 0.1804(4) -0.1953(4) 0.0404(11) Uani 1 1 d . . .
C22 C -0.0468(5) 0.2990(5) -0.1125(4) 0.0403(13) Uani 1 1 d . . .
N1 N 0.1084(4) 0.1684(4) -0.0547(4) 0.0414(11) Uani 1 1 d . . .
C21 C 0.1600(4) 0.3673(5) -0.0487(4) 0.0377(12) Uani 1 1 d . . .
N5 N 0.4228(4) 0.5348(4) 0.1844(4) 0.0459(12) Uani 1 1 d . . .
N6 N 0.3692(4) 0.6582(4) 0.0683(4) 0.0446(12) Uani 1 1 d . . .
N9 N 0.2052(4) 0.4386(4) 0.0161(4) 0.0510(13) Uani 1 1 d . . .
C27 C 0.5020(4) 0.5721(5) 0.1481(5) 0.0448(14) Uani 1 1 d . . .
C15 C -0.0342(4) 0.1424(4) -0.3622(4) 0.0391(12) Uani 1 1 d . . .
C6 C 0.2520(5) 0.1156(4) -0.1434(5) 0.0444(14) Uani 1 1 d . . .
C28 C 0.4711(4) 0.6375(4) 0.0822(4) 0.0428(14) Uani 1 1 d . . .
C16 C 0.0015(4) 0.2481(5) -0.3594(5) 0.0409(13) Uani 1 1 d . . .
C5 C 0.1936(5) 0.1101(5) -0.0618(5) 0.0488(15) Uani 1 1 d . . .
N8 N 0.2998(4) 0.7251(5) 0.2937(4) 0.0547(14) Uani 1 1 d . . .
C10 C 0.2655(5) 0.1931(5) -0.2684(5) 0.0487(15) Uani 1 1 d . . .
H10A H 0.2404 0.2385 -0.3037 0.058 Uiso 1 1 calc R . .
C9 C 0.3550(5) 0.1402(6) -0.2936(5) 0.0603(18) Uani 1 1 d . . .
H9A H 0.3889 0.1502 -0.3450 0.072 Uiso 1 1 calc R . .
N7 N 0.2108(4) 0.5378(5) 0.2696(4) 0.0564(14) Uani 1 1 d . . .
N10 N 0.1257(4) 0.6678(4) 0.0960(4) 0.0529(13) Uani 1 1 d . . .
C29 C 0.5427(5) 0.6762(5) 0.0341(5) 0.0534(17) Uani 1 1 d . . .
H29A H 0.6130 0.6608 0.0432 0.064 Uiso 1 1 calc R . .
C38 C 0.2959(5) 0.7060(7) 0.3816(5) 0.0629(19) Uani 1 1 d . . .
C11 C -0.0303(5) 0.0302(5) -0.2676(5) 0.0514(15) Uani 1 1 d . . .
H11A H -0.0064 0.0159 -0.2063 0.062 Uiso 1 1 calc R . .
C20 C 0.0881(5) 0.4097(5) -0.2550(6) 0.0509(15) Uani 1 1 d . . .
H20A H 0.1241 0.4538 -0.1901 0.061 Uiso 1 1 calc R . .
C7 C 0.3407(5) 0.0597(5) -0.1671(6) 0.0598(18) Uani 1 1 d . . .
H7A H 0.3643 0.0136 -0.1323 0.072 Uiso 1 1 calc R . .
C14 C -0.0982(5) 0.0690(6) -0.4469(5) 0.0549(16) Uani 1 1 d . . .
H14A H -0.1201 0.0837 -0.5083 0.066 Uiso 1 1 calc R . .
C37 C 0.2535(6) 0.5995(7) 0.3690(6) 0.067(2) Uani 1 1 d . . .
C1 C 0.0522(5) 0.1708(5) 0.0213(5) 0.0531(16) Uani 1 1 d . . .
H1A H -0.0070 0.2096 0.0263 0.064 Uiso 1 1 calc R . .
C31 C 0.4057(6) 0.7591(7) -0.0379(6) 0.069(2) Uani 1 1 d . . .
H31A H 0.3814 0.8020 -0.0762 0.083 Uiso 1 1 calc R . .
C8 C 0.3925(6) 0.0735(6) -0.2420(6) 0.067(2) Uani 1 1 d . . .
H8A H 0.4523 0.0379 -0.2576 0.080 Uiso 1 1 calc R . .
C26 C 0.6054(5) 0.5482(6) 0.1719(6) 0.0600(18) Uani 1 1 d . . .
H26A H 0.6589 0.5742 0.1467 0.072 Uiso 1 1 calc R . .
C17 C -0.0188(5) 0.2815(6) -0.4449(5) 0.0567(17) Uani 1 1 d . . .
H17A H -0.0543 0.2364 -0.5095 0.068 Uiso 1 1 calc R . .
C18 C 0.0152(6) 0.3844(7) -0.4322(7) 0.070(2) Uani 1 1 d . . .
H18A H 0.0019 0.4090 -0.4885 0.084 Uiso 1 1 calc R . .
C32 C 0.3389(5) 0.7162(6) 0.0089(5) 0.0567(17) Uani 1 1 d . . .
H32A H 0.2679 0.7285 -0.0019 0.068 Uiso 1 1 calc R . .
C12 C -0.0935(6) -0.0471(6) -0.3502(6) 0.0631(19) Uani 1 1 d . . .
H12A H -0.1110 -0.1119 -0.3445 0.076 Uiso 1 1 calc R . .
C4 C 0.2234(7) 0.0564(7) 0.0079(7) 0.076(2) Uani 1 1 d . . .
H4A H 0.2836 0.0190 0.0042 0.092 Uiso 1 1 calc R . .
C30 C 0.5098(6) 0.7361(6) -0.0258(6) 0.066(2) Uani 1 1 d . . .
H30A H 0.5571 0.7614 -0.0582 0.079 Uiso 1 1 calc R . .
C33 C 0.1689(7) 0.4403(7) 0.2525(8) 0.079(2) Uani 1 1 d . . .
H33A H 0.1384 0.3979 0.1848 0.094 Uiso 1 1 calc R . .
C23 C 0.4468(5) 0.4750(6) 0.2420(6) 0.0588(17) Uani 1 1 d . . .
H23A H 0.3924 0.4501 0.2669 0.071 Uiso 1 1 calc R . .
C19 C 0.0681(6) 0.4495(6) -0.3367(6) 0.0630(19) Uani 1 1 d . . .
H19A H 0.0902 0.5188 -0.3269 0.076 Uiso 1 1 calc R . .
C25 C 0.6278(6) 0.4863(7) 0.2327(8) 0.081(3) Uani 1 1 d . . .
H25A H 0.6970 0.4710 0.2500 0.098 Uiso 1 1 calc R . .
C24 C 0.5476(6) 0.4463(7) 0.2683(7) 0.076(2) Uani 1 1 d . . .
H24A H 0.5606 0.4023 0.3080 0.092 Uiso 1 1 calc R . .
C2 C 0.0782(7) 0.1189(7) 0.0907(7) 0.076(2) Uani 1 1 d . . .
H2A H 0.0389 0.1241 0.1433 0.091 Uiso 1 1 calc R . .
C13 C -0.1294(6) -0.0267(6) -0.4396(6) 0.0624(18) Uani 1 1 d . . .
H13A H -0.1743 -0.0762 -0.4951 0.075 Uiso 1 1 calc R . .
C42 C 0.3347(6) 0.8238(6) 0.3020(7) 0.072(2) Uani 1 1 d . . .
H42A H 0.3360 0.8383 0.2405 0.086 Uiso 1 1 calc R . .
C3 C 0.1627(8) 0.0595(8) 0.0819(8) 0.090(3) Uani 1 1 d . . .
H3A H 0.1793 0.0208 0.1264 0.108 Uiso 1 1 calc R . .
C40 C 0.3651(9) 0.8823(11) 0.4840(9) 0.117(4) Uani 1 1 d . . .
H40A H 0.3871 0.9352 0.5487 0.141 Uiso 1 1 calc R . .
C39 C 0.3303(8) 0.7839(10) 0.4808(7) 0.096(3) Uani 1 1 d . . .
H39A H 0.3296 0.7693 0.5424 0.115 Uiso 1 1 calc R . .
Cl1 Cl 0.83756(18) 0.22569(17) 0.26270(16) 0.0750(6) Uani 1 1 d . . .
C36 C 0.2569(9) 0.5626(11) 0.4530(8) 0.103(3) Uani 1 1 d . . .
H36A H 0.2862 0.6060 0.5208 0.124 Uiso 1 1 calc R . .
C41 C 0.3678(7) 0.9027(7) 0.3957(9) 0.094(3) Uani 1 1 d . . .
H41A H 0.3917 0.9691 0.3980 0.113 Uiso 1 1 calc R . .
C34 C 0.1708(9) 0.4017(9) 0.3369(11) 0.106(4) Uani 1 1 d . . .
H34A H 0.1399 0.3346 0.3240 0.127 Uiso 1 1 calc R . .
O1 O 0.8291(10) 0.1491(8) 0.3160(10) 0.188(5) Uani 1 1 d . . .
O3 O 0.8239(9) 0.1787(11) 0.1587(6) 0.193(5) Uani 1 1 d . . .
C35 C 0.2161(10) 0.4599(12) 0.4346(10) 0.115(4) Uani 1 1 d . . .
H35A H 0.2203 0.4327 0.4891 0.138 Uiso 1 1 calc R . .
O2 O 0.9452(8) 0.2561(12) 0.3032(9) 0.203(6) Uani 1 1 d . . .
O4 O 0.7789(14) 0.3017(12) 0.2999(10) 0.254(8) Uani 1 1 d . . .
Cl2 Cl 0.4065(5) 0.1680(6) 0.2687(6) 0.146(3) Uani 0.535(7) 1 d PD A 1
O5 O 0.4790(16) 0.1306(16) 0.2080(16) 0.192(9) Uani 0.535(7) 1 d PDU A 1
O6 O 0.464(2) 0.2364(18) 0.3547(17) 0.303(18) Uani 0.535(7) 1 d PDU A 1
O7 O 0.3647(17) 0.0964(16) 0.2881(18) 0.215(10) Uani 0.535(7) 1 d PDU A 1
O8 O 0.3520(11) 0.2230(11) 0.2212(12) 0.131(5) Uani 0.535(7) 1 d PDU A 1
Cl2A Cl 0.3662(6) 0.2334(8) 0.4422(10) 0.202(7) Uani 0.465(7) 1 d PD A 2
O5A O 0.427(2) 0.148(2) 0.462(2) 0.36(2) Uani 0.465(7) 1 d PDU A 2
O6A O 0.3029(17) 0.1888(18) 0.3315(15) 0.175(9) Uani 0.465(7) 1 d PDU A 2
O7A O 0.434(2) 0.3239(18) 0.449(2) 0.269(16) Uani 0.465(7) 1 d PDU A 2
O8A O 0.2902(14) 0.2634(14) 0.5161(13) 0.133(6) Uani 0.465(7) 1 d PDU A 2
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'
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_1
C22 Fe1 C21 90.2(2) .
C22 Fe1 N1 95.6(2) .
C21 Fe1 N1 89.0(2) .
C22 Fe1 N4 88.3(2) .
C21 Fe1 N4 95.7(2) .
N1 Fe1 N4 173.9(2) .
C22 Fe1 N2 175.6(2) .
C21 Fe1 N2 92.2(2) .
N1 Fe1 N2 80.8(2) .
N4 Fe1 N2 95.18(19) .
C22 Fe1 N3 89.3(2) .
C21 Fe1 N3 175.8(2) .
N1 Fe1 N3 95.22(19) .
N4 Fe1 N3 80.09(19) .
N2 Fe1 N3 88.55(19) .
N10 Mn1 N9 94.4(2) .
N10 Mn1 N6 94.6(2) .
N9 Mn1 N6 101.42(19) .
N10 Mn1 N7 103.8(2) .
N9 Mn1 N7 95.5(2) .
N6 Mn1 N7 153.9(2) .
N10 Mn1 N8 89.1(2) .
N9 Mn1 N8 167.4(2) .
N6 Mn1 N8 90.40(19) .
N7 Mn1 N8 71.8(2) .
N10 Mn1 N5 165.9(2) .
N9 Mn1 N5 93.64(19) .
N6 Mn1 N5 72.45(18) .
N7 Mn1 N5 86.84(19) .
N8 Mn1 N5 85.57(19) .
C15 N3 C11 117.5(5) .
C15 N3 Fe1 116.0(4) .
C11 N3 Fe1 126.4(4) .
C20 N4 C16 117.8(5) .
C20 N4 Fe1 126.2(4) .
C16 N4 Fe1 115.9(4) .
C10 N2 C6 119.1(5) .
C10 N2 Fe1 126.7(4) .
C6 N2 Fe1 114.2(4) .
N10 C22 Fe1 173.9(5) 2_565
C1 N1 C5 117.6(5) .
C1 N1 Fe1 126.2(4) .
C5 N1 Fe1 116.1(4) .
N9 C21 Fe1 178.0(5) .
C23 N5 C27 118.1(5) .
C23 N5 Mn1 126.1(4) .
C27 N5 Mn1 115.7(4) .
C32 N6 C28 118.4(5) .
C32 N6 Mn1 123.0(4) .
C28 N6 Mn1 118.5(4) .
C21 N9 Mn1 167.4(5) .
N5 C27 C26 121.0(6) .
N5 C27 C28 116.3(5) .
C26 C27 C28 122.8(6) .
N3 C15 C14 122.1(6) .
N3 C15 C16 113.5(5) .
C14 C15 C16 124.4(5) .
N2 C6 C7 121.0(6) .
N2 C6 C5 115.0(5) .
C7 C6 C5 124.0(6) .
N6 C28 C29 120.3(6) .
N6 C28 C27 117.0(5) .
C29 C28 C27 122.8(6) .
N4 C16 C17 122.2(6) .
N4 C16 C15 114.5(5) .
C17 C16 C15 123.3(6) .
N1 C5 C4 121.3(6) .
N1 C5 C6 113.8(5) .
C4 C5 C6 124.8(6) .
C38 N8 C42 117.7(6) .
C38 N8 Mn1 117.3(5) .
C42 N8 Mn1 124.9(5) .
N2 C10 C9 121.8(6) .
C8 C9 C10 119.4(7) .
C33 N7 C37 119.2(7) .
C33 N7 Mn1 122.6(5) .
C37 N7 Mn1 115.8(5) .
C22 N10 Mn1 147.8(5) 2_565
C30 C29 C28 120.2(6) .
N8 C38 C39 121.3(9) .
N8 C38 C37 116.0(6) .
C39 C38 C37 122.7(8) .
N3 C11 C12 123.0(6) .
N4 C20 C19 123.0(6) .
C8 C7 C6 119.6(7) .
C15 C14 C13 119.4(6) .
N7 C37 C36 121.2(9) .
N7 C37 C38 116.0(6) .
C36 C37 C38 122.8(9) .
N1 C1 C2 123.1(7) .
C32 C31 C30 117.5(7) .
C9 C8 C7 119.1(7) .
C25 C26 C27 119.4(7) .
C16 C17 C18 118.4(7) .
C19 C18 C17 119.9(6) .
N6 C32 C31 124.3(7) .
C13 C12 C11 118.9(6) .
C3 C4 C5 118.8(7) .
C29 C30 C31 119.3(6) .
N7 C33 C34 120.5(9) .
N5 C23 C24 124.6(7) .
C18 C19 C20 118.5(6) .
C26 C25 C24 120.0(7) .
C25 C24 C23 116.8(8) .
C3 C2 C1 118.8(7) .
C12 C13 C14 118.9(6) .
N8 C42 C41 123.6(9) .
C2 C3 C4 120.3(7) .
C41 C40 C39 120.9(9) .
C40 C39 C38 118.1(10) .
O4 Cl1 O3 117.9(8) .
O4 Cl1 O2 111.5(11) .
O3 Cl1 O2 109.8(7) .
O4 Cl1 O1 108.1(8) .
O3 Cl1 O1 111.5(8) .
O2 Cl1 O1 95.7(7) .
C37 C36 C35 119.5(11) .
C40 C41 C42 118.3(10) .
C35 C34 C33 121.1(11) .
C34 C35 C36 118.4(10) .
O7 Cl2 O8 121.3(11) .
O7 Cl2 O6 111.1(11) .
O8 Cl2 O6 106.4(11) .
O7 Cl2 O5 110.1(11) .
O8 Cl2 O5 103.5(9) .
O6 Cl2 O5 102.7(11) .
O7A Cl2A O5A 112.3(11) .
O7A Cl2A O8A 111.9(11) .
O5A Cl2A O8A 108.9(10) .
O7A Cl2A O6A 108.6(10) .
O5A Cl2A O6A 107.3(11) .
O8A Cl2A O6A 107.6(9) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C22 1.911(6) .
Fe1 C21 1.912(6) .
Fe1 N1 1.969(5) .
Fe1 N4 1.980(5) .
Fe1 N2 2.015(5) .
Fe1 N3 2.019(5) .
Mn1 N10 2.141(6) .
Mn1 N9 2.166(6) .
Mn1 N6 2.237(5) .
Mn1 N7 2.249(6) .
Mn1 N8 2.266(5) .
Mn1 N5 2.310(5) .
N3 C15 1.340(7) .
N3 C11 1.342(7) .
N4 C20 1.340(7) .
N4 C16 1.361(7) .
N2 C10 1.334(8) .
N2 C6 1.348(8) .
C22 N10 1.143(7) 2_565
N1 C1 1.353(8) .
N1 C5 1.357(8) .
C21 N9 1.138(8) .
N5 C23 1.313(8) .
N5 C27 1.361(8) .
N6 C32 1.326(8) .
N6 C28 1.343(7) .
C27 C26 1.388(8) .
C27 C28 1.476(9) .
C15 C14 1.380(9) .
C15 C16 1.476(8) .
C6 C7 1.401(9) .
C6 C5 1.465(9) .
C28 C29 1.402(8) .
C16 C17 1.380(8) .
C5 C4 1.392(9) .
N8 C38 1.323(9) .
N8 C42 1.357(9) .
C10 C9 1.396(9) .
C9 C8 1.368(11) .
N7 C33 1.341(10) .
N7 C37 1.356(10) .
N10 C22 1.143(7) 2_565
C29 C30 1.359(10) .
C38 C39 1.409(12) .
C38 C37 1.470(12) .
C11 C12 1.384(9) .
C20 C19 1.386(9) .
C7 C8 1.369(11) .
C14 C13 1.382(10) .
C37 C36 1.394(12) .
C1 C2 1.363(10) .
C31 C32 1.375(9) .
C31 C30 1.379(11) .
C26 C25 1.368(11) .
C17 C18 1.391(10) .
C18 C19 1.369(11) .
C12 C13 1.357(10) .
C4 C3 1.367(12) .
C33 C34 1.415(13) .
C23 C24 1.387(10) .
C25 C24 1.384(12) .
C2 C3 1.358(12) .
C42 C41 1.364(11) .
C40 C41 1.334(16) .
C40 C39 1.376(17) .
Cl1 O4 1.297(9) .
Cl1 O3 1.333(8) .
Cl1 O2 1.407(10) .
Cl1 O1 1.461(10) .
C36 C35 1.398(17) .
C34 C35 1.335(16) .
Cl2 O7 1.221(15) .
Cl2 O8 1.289(13) .
Cl2 O6 1.324(17) .
Cl2 O5 1.343(15) .
Cl2A O7A 1.457(19) .
Cl2A O5A 1.474(19) .
Cl2A O8A 1.485(16) .
Cl2A O6A 1.519(17) .
