#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:51:20 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228951 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/16/7231626.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_7231626
loop_
_publ_author_name
'Yang, En-Che'
'Huang, Han-Sheng'
'Huang, Shao-Yun'
'Huang, Shi-Yi'
'Chang, Yu-Ying'
'Lee, Gene-Hsiang'
'Sheu, Hwo-Shuenn'
'Chang, Chung-Kai'
_publ_section_title
;
 A one dimensional coordination polymer composed of antiferromagnetically
 coupled disk-like [Mn7] units
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              6963
_journal_paper_doi               10.1039/C8CE01374H
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C42 H64 Cl4 Mn7 N21 O26'
_chemical_formula_weight         1805.52
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-07-28 deposited with the CCDC.
2018-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.1605(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.8441(10)
_cell_length_b                   16.0569(8)
_cell_length_c                   23.1343(11)
_cell_measurement_reflns_used    5979
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      2.19
_cell_volume                     7064.6(6)
_computing_cell_refinement       'Bruker SAINT'
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       '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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26970
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.451
_exptl_absorpt_correction_T_max  0.7130
_exptl_absorpt_correction_T_min  0.6538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (BRUKER, 2001)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3656
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         8104
_refine_ls_number_restraints     134
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0797P)²+22.4669P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1438
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                6560
_reflns_number_total             8104
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce01374h2.cif
_cod_data_source_block           ic17368
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7231626.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7231626
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.2500 0.7500 0.0000 0.01904(15) Uani 1 2 d S . .
Mn2 Mn 0.22228(3) 0.54424(3) -0.03602(3) 0.02702(14) Uani 1 1 d . . .
Mn3 Mn 0.31864(3) 0.60237(3) 0.10816(2) 0.02752(14) Uani 1 1 d . . .
Mn4 Mn 0.35318(3) 0.80562(3) 0.14375(2) 0.02727(14) Uani 1 1 d . . .
Cl1 Cl 0.3153(3) 0.4424(4) 0.1997(3) 0.0582(10) Uani 0.559(4) 1 d PU A 1
Cl1' Cl 0.2944(4) 0.4530(5) 0.2059(4) 0.0582(10) Uani 0.441(4) 1 d PU A 2
O1 O 0.34195(12) 0.72146(15) 0.06453(10) 0.0230(5) Uani 1 1 d . A .
O2 O 0.25494(12) 0.67240(15) -0.06360(11) 0.0263(5) Uani 1 1 d . . .
O3 O 0.30275(13) 0.51570(16) 0.03540(13) 0.0330(6) Uani 1 1 d . A .
O4 O 0.21678(12) 0.63416(16) 0.03025(11) 0.0267(5) Uani 1 1 d . A .
O5 O 0.14222(13) 0.57552(17) -0.10766(12) 0.0329(6) Uani 1 1 d . . .
O6 O 0.2998(4) 0.5232(4) 0.1764(3) 0.0648(14) Uani 0.559(4) 1 d PU A 1
O7 O 0.2580(6) 0.3874(6) 0.1629(5) 0.080(2) Uani 0.559(4) 1 d PU A 1
O8 O 0.3282(7) 0.4374(10) 0.2622(5) 0.127(3) Uani 0.559(4) 1 d PU A 1
O9 O 0.3783(6) 0.4185(6) 0.1889(6) 0.112(2) Uani 0.559(4) 1 d PU A 1
O6' O 0.3019(6) 0.4816(5) 0.1500(4) 0.0648(14) Uani 0.441(4) 1 d PU A 2
O7' O 0.2734(8) 0.3716(7) 0.1980(6) 0.080(2) Uani 0.441(4) 1 d PU A 2
O8' O 0.3662(9) 0.4444(14) 0.2590(7) 0.127(3) Uani 0.441(4) 1 d PU A 2
O9' O 0.2475(8) 0.5037(7) 0.2176(7) 0.112(2) Uani 0.441(4) 1 d PU A 2
N1 N 0.20595(17) 0.41313(19) -0.06378(15) 0.0323(7) Uani 1 1 d . . .
N2 N 0.29757(17) 0.51401(19) -0.08335(16) 0.0322(7) Uani 1 1 d . . .
N3 N 0.13326(16) 0.4942(2) -0.00896(15) 0.0324(7) Uani 1 1 d . . .
N4 N 0.30956(18) 0.6959(2) 0.17114(14) 0.0356(7) Uani 1 1 d . A .
N5 N 0.2897(2) 0.6928(2) 0.21319(16) 0.0398(8) Uani 1 1 d . . .
N6 N 0.2721(3) 0.6915(3) 0.2533(2) 0.0665(13) Uani 1 1 d . A .
N7 N 0.46587(17) 0.7865(2) 0.19478(16) 0.0405(8) Uani 1 1 d . A .
N8 N 0.5000 0.7871(3) 0.2500 0.0308(9) Uani 1 2 d S . .
N9 N 0.43287(18) 0.5862(2) 0.14941(17) 0.0412(8) Uani 1 1 d . A .
N10 N 0.3581(2) 0.8620(2) 0.23400(16) 0.0449(9) Uani 1 1 d . A .
C1 C 0.2326(2) 0.3818(2) -0.10302(19) 0.0350(8) Uani 1 1 d . . .
C2 C 0.2236(3) 0.2993(3) -0.1214(2) 0.0435(10) Uani 1 1 d . . .
H2 H 0.2436 0.2777 -0.1485 0.052 Uiso 1 1 calc R . .
C3 C 0.1849(3) 0.2492(3) -0.0991(2) 0.0488(11) Uani 1 1 d . . .
H3 H 0.1774 0.1923 -0.1114 0.059 Uiso 1 1 calc R . .
C4 C 0.1571(3) 0.2814(3) -0.0593(2) 0.0437(10) Uani 1 1 d . . .
H4 H 0.1301 0.2475 -0.0440 0.052 Uiso 1 1 calc R . .
C5 C 0.1692(2) 0.3640(2) -0.04206(18) 0.0341(8) Uani 1 1 d . . .
C6 C 0.2688(2) 0.4440(2) -0.1280(2) 0.0418(10) Uani 1 1 d . . .
H6A H 0.3075 0.4161 -0.1349 0.050 Uiso 1 1 calc R . .
H6B H 0.2349 0.4656 -0.1693 0.050 Uiso 1 1 calc R . .
C7 C 0.3074(2) 0.5876(2) -0.11764(19) 0.0321(8) Uani 1 1 d . . .
H7A H 0.2669 0.5924 -0.1593 0.038 Uiso 1 1 calc R . .
H7B H 0.3504 0.5802 -0.1253 0.038 Uiso 1 1 calc R . .
C8 C 0.31363(19) 0.6662(2) -0.08043(19) 0.0309(8) Uani 1 1 d . . .
H8A H 0.3580 0.6654 -0.0417 0.037 Uiso 1 1 calc R . .
H8B H 0.3146 0.7150 -0.1062 0.037 Uiso 1 1 calc R . .
C9 C 0.3652(2) 0.4925(3) -0.0294(2) 0.0401(9) Uani 1 1 d . A .
H9A H 0.3956 0.5425 -0.0165 0.048 Uiso 1 1 calc R . .
H9B H 0.3900 0.4493 -0.0430 0.048 Uiso 1 1 calc R . .
C10 C 0.3518(2) 0.4607(2) 0.0260(2) 0.0361(9) Uani 1 1 d . . .
H10A H 0.3324 0.4036 0.0173 0.043 Uiso 1 1 calc R A .
H10B H 0.3964 0.4592 0.0645 0.043 Uiso 1 1 calc R . .
C11 C 0.1446(2) 0.4042(2) 0.0043(2) 0.0379(9) Uani 1 1 d . . .
H11A H 0.1002 0.3779 0.0008 0.046 Uiso 1 1 calc R . .
H11B H 0.1803 0.3958 0.0481 0.046 Uiso 1 1 calc R . .
C12 C 0.1364(2) 0.5405(2) 0.04706(19) 0.0336(8) Uani 1 1 d . A .
H12A H 0.1725 0.5155 0.0859 0.040 Uiso 1 1 calc R . .
H12B H 0.0904 0.5372 0.0500 0.040 Uiso 1 1 calc R . .
C13 C 0.1545(2) 0.6301(2) 0.04187(19) 0.0332(8) Uani 1 1 d . . .
H13A H 0.1151 0.6574 0.0068 0.040 Uiso 1 1 calc R A .
H13B H 0.1623 0.6598 0.0816 0.040 Uiso 1 1 calc R . .
C14 C 0.0672(2) 0.5128(3) -0.0647(2) 0.0405(9) Uani 1 1 d . . .
H14A H 0.0458 0.5641 -0.0567 0.049 Uiso 1 1 calc R . .
H14B H 0.0335 0.4665 -0.0715 0.049 Uiso 1 1 calc R . .
C15 C 0.0812(2) 0.5245(3) -0.12393(19) 0.0385(9) Uani 1 1 d . . .
H15A H 0.0890 0.4698 -0.1397 0.046 Uiso 1 1 calc R . .
H15B H 0.0403 0.5515 -0.1577 0.046 Uiso 1 1 calc R . .
C16 C 0.4910(2) 0.5968(3) 0.1641(2) 0.0458(10) Uani 1 1 d . . .
C17 C 0.5665(3) 0.6138(5) 0.1838(3) 0.0719(17) Uani 1 1 d . A .
H17A H 0.5722 0.6646 0.1628 0.108 Uiso 1 1 calc R . .
H17B H 0.5884 0.5668 0.1717 0.108 Uiso 1 1 calc R . .
H17C H 0.5889 0.6214 0.2298 0.108 Uiso 1 1 calc R . .
C18 C 0.3746(2) 0.8664(3) 0.2867(2) 0.0415(9) Uani 1 1 d . . .
C19 C 0.3976(3) 0.8702(4) 0.3552(2) 0.0659(15) Uani 1 1 d . A .
H19A H 0.4430 0.8419 0.3759 0.099 Uiso 1 1 calc R . .
H19B H 0.3627 0.8429 0.3670 0.099 Uiso 1 1 calc R . .
H19C H 0.4026 0.9286 0.3687 0.099 Uiso 1 1 calc R . .
Cl2 Cl 0.01188(5) 0.21568(7) 0.01124(5) 0.0404(2) Uani 1 1 d . . .
O10 O -0.02591(17) 0.2115(3) 0.05005(17) 0.0719(12) Uani 1 1 d . . .
O11 O -0.0036(2) 0.2922(3) -0.0222(2) 0.0844(15) Uani 1 1 d . . .
O12 O 0.08564(15) 0.2097(2) 0.04882(17) 0.0534(8) Uani 1 1 d . . .
O13 O -0.0102(2) 0.1508(3) -0.0341(2) 0.0944(16) Uani 1 1 d . . .
N11 N 0.5824(7) 0.0796(8) 0.1873(8) 0.219(6) Uani 1 1 d . . .
C20 C 0.5836(7) 0.1471(8) 0.1930(6) 0.149(5) Uani 1 1 d . . .
C21 C 0.5817(7) 0.2337(7) 0.1958(5) 0.159(4) Uani 1 1 d U . .
H21A H 0.5673 0.2568 0.1531 0.239 Uiso 1 1 calc R . .
H21B H 0.6284 0.2547 0.2231 0.239 Uiso 1 1 calc R . .
H21C H 0.5478 0.2506 0.2131 0.239 Uiso 1 1 calc R . .
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'
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
O1 Mn1 O1 179.998(1) . 7_565
O1 Mn1 O2 84.93(10) . 7_565
O1 Mn1 O2 95.07(10) 7_565 7_565
O1 Mn1 O2 95.07(10) . .
O1 Mn1 O2 84.93(10) 7_565 .
O2 Mn1 O2 180.0 7_565 .
O1 Mn1 O4 84.02(9) . .
O1 Mn1 O4 95.98(9) 7_565 .
O2 Mn1 O4 100.29(9) 7_565 .
O2 Mn1 O4 79.71(9) . .
O1 Mn1 O4 95.98(9) . 7_565
O1 Mn1 O4 84.02(9) 7_565 7_565
O2 Mn1 O4 79.71(9) 7_565 7_565
O2 Mn1 O4 100.29(9) . 7_565
O4 Mn1 O4 180.0 . 7_565
O3 Mn2 O5 178.64(12) . .
O3 Mn2 O4 79.87(10) . .
O5 Mn2 O4 99.38(11) . .
O3 Mn2 N1 89.95(12) . .
O5 Mn2 N1 91.32(12) . .
O4 Mn2 N1 144.23(11) . .
O3 Mn2 N2 80.14(12) . .
O5 Mn2 N2 99.74(12) . .
O4 Mn2 N2 136.76(10) . .
N1 Mn2 N2 73.25(11) . .
O3 Mn2 N3 101.74(12) . .
O5 Mn2 N3 79.13(11) . .
O4 Mn2 N3 76.02(10) . .
N1 Mn2 N3 72.65(11) . .
N2 Mn2 N3 145.84(11) . .
O3 Mn2 O2 101.61(10) . .
O5 Mn2 O2 77.07(10) . .
O4 Mn2 O2 73.07(9) . .
N1 Mn2 O2 142.68(10) . .
N2 Mn2 O2 74.00(10) . .
N3 Mn2 O2 136.87(10) . .
O3 Mn3 N4 166.92(12) . .
O3 Mn3 O6 100.2(2) . .
N4 Mn3 O6 79.9(2) . .
O3 Mn3 N9 93.29(12) . .
N4 Mn3 N9 99.72(13) . .
O6 Mn3 N9 95.8(2) . .
O3 Mn3 O4 73.50(9) . .
N4 Mn3 O4 93.99(11) . .
O6 Mn3 O4 109.1(2) . .
N9 Mn3 O4 153.34(12) . .
O3 Mn3 O6' 76.9(2) . .
N4 Mn3 O6' 103.7(2) . .
O6 Mn3 O6' 23.8(2) . .
N9 Mn3 O6' 92.4(3) . .
O4 Mn3 O6' 106.4(3) . .
O3 Mn3 O1 101.00(10) . .
N4 Mn3 O1 79.08(10) . .
O6 Mn3 O1 158.72(19) . .
N9 Mn3 O1 84.40(11) . .
O4 Mn3 O1 75.85(9) . .
O6' Mn3 O1 176.1(3) . .
O5 Mn4 N7 97.39(12) 7_565 .
O5 Mn4 N4 159.54(12) 7_565 .
N7 Mn4 N4 102.32(14) . .
O5 Mn4 O1 103.44(10) 7_565 .
N7 Mn4 O1 95.06(11) . .
N4 Mn4 O1 80.36(10) . .
O5 Mn4 N10 90.65(13) 7_565 .
N7 Mn4 N10 85.62(13) . .
N4 Mn4 N10 85.49(13) . .
O1 Mn4 N10 165.65(12) . .
O5 Mn4 O2 74.19(9) 7_565 7_565
N7 Mn4 O2 161.65(11) . 7_565
N4 Mn4 O2 88.33(11) . 7_565
O1 Mn4 O2 71.77(9) . 7_565
N10 Mn4 O2 110.36(12) . 7_565
O8 Cl1 O6 112.3(9) . .
O8 Cl1 O7 110.1(8) . .
O6 Cl1 O7 109.7(7) . .
O8 Cl1 O9 111.0(9) . .
O6 Cl1 O9 105.1(6) . .
O7 Cl1 O9 108.5(7) . .
O7' Cl1' O9' 112.1(10) . .
O7' Cl1' O6' 109.4(8) . .
O9' Cl1' O6' 109.5(9) . .
O7' Cl1' O8' 100.2(11) . .
O9' Cl1' O8' 116.2(11) . .
O6' Cl1' O8' 109.0(9) . .
Mn1 O1 Mn4 103.26(10) . .
Mn1 O1 Mn3 102.35(10) . .
Mn4 O1 Mn3 96.54(9) . .
C8 O2 Mn1 124.1(2) . .
C8 O2 Mn4 117.3(2) . 7_565
Mn1 O2 Mn4 99.98(10) . 7_565
C8 O2 Mn2 113.0(2) . .
Mn1 O2 Mn2 104.11(10) . .
Mn4 O2 Mn2 93.26(9) 7_565 .
C10 O3 Mn2 117.1(2) . .
C10 O3 Mn3 129.8(2) . .
Mn2 O3 Mn3 109.64(12) . .
C13 O4 Mn2 114.9(2) . .
C13 O4 Mn1 121.8(2) . .
Mn2 O4 Mn1 103.09(10) . .
C13 O4 Mn3 118.6(2) . .
Mn2 O4 Mn3 96.49(9) . .
Mn1 O4 Mn3 97.62(9) . .
C15 O5 Mn2 117.0(2) . .
C15 O5 Mn4 126.7(2) . 7_565
Mn2 O5 Mn4 115.18(12) . 7_565
Cl1 O6 Mn3 137.7(5) . .
Cl1' O6' Mn3 138.7(6) . .
C5 N1 C1 119.6(3) . .
C5 N1 Mn2 120.2(2) . .
C1 N1 Mn2 120.2(2) . .
C6 N2 C7 109.8(3) . .
C6 N2 C9 112.5(3) . .
C7 N2 C9 110.0(3) . .
C6 N2 Mn2 109.4(2) . .
C7 N2 Mn2 110.9(2) . .
C9 N2 Mn2 104.2(2) . .
C12 N3 C11 111.4(3) . .
C12 N3 C14 110.9(3) . .
C11 N3 C14 113.0(3) . .
C12 N3 Mn2 108.0(2) . .
C11 N3 Mn2 108.4(2) . .
C14 N3 Mn2 104.8(2) . .
N5 N4 Mn3 132.3(3) . .
N5 N4 Mn4 125.9(3) . .
Mn3 N4 Mn4 101.72(12) . .
N6 N5 N4 178.4(5) . .
N8 N7 Mn4 128.7(2) . .
N7 N8 N7 179.2(6) . 2_655
C16 N9 Mn3 162.9(4) . .
C18 N10 Mn4 155.9(4) . .
N1 C1 C2 121.8(4) . .
N1 C1 C6 115.0(3) . .
C2 C1 C6 123.1(4) . .
C1 C2 C3 118.2(4) . .
C4 C3 C2 120.1(4) . .
C3 C4 C5 118.7(4) . .
N1 C5 C4 121.7(4) . .
N1 C5 C11 115.4(3) . .
C4 C5 C11 122.9(3) . .
N2 C6 C1 111.2(3) . .
N2 C7 C8 111.2(3) . .
O2 C8 C7 109.3(3) . .
N2 C9 C10 110.4(3) . .
O3 C10 C9 108.2(3) . .
N3 C11 C5 110.0(3) . .
N3 C12 C13 109.6(3) . .
O4 C13 C12 109.6(3) . .
N3 C14 C15 110.9(3) . .
O5 C15 C14 108.1(3) . .
N9 C16 C17 177.9(6) . .
N10 C18 C19 178.3(5) . .
O13 Cl2 O11 107.5(3) . .
O13 Cl2 O10 109.7(3) . .
O11 Cl2 O10 109.0(3) . .
O13 Cl2 O12 110.2(2) . .
O11 Cl2 O12 109.8(2) . .
O10 Cl2 O12 110.5(2) . .
N11 C20 C21 175.9(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 1.942(2) .
Mn1 O1 1.942(2) 7_565
Mn1 O2 1.963(2) 7_565
Mn1 O2 1.963(2) .
Mn1 O4 2.197(2) .
Mn1 O4 2.197(2) 7_565
Mn2 O3 1.867(3) .
Mn2 O5 1.876(3) .
Mn2 O4 2.143(2) .
Mn2 N1 2.187(3) .
Mn2 N2 2.303(3) .
Mn2 N3 2.330(3) .
Mn2 O2 2.337(2) .
Mn3 O3 2.103(3) .
Mn3 N4 2.154(3) .
Mn3 O6 2.185(6) .
Mn3 N9 2.188(3) .
Mn3 O4 2.210(2) .
Mn3 O6' 2.257(8) .
Mn3 O1 2.305(2) .
Mn4 O5 2.101(3) 7_565
Mn4 N7 2.176(3) .
Mn4 N4 2.192(3) .
Mn4 O1 2.211(2) .
Mn4 N10 2.239(3) .
Mn4 O2 2.285(2) 7_565
Cl1 O8 1.362(13) .
Cl1 O6 1.390(9) .
Cl1 O7 1.450(12) .
Cl1 O9 1.483(11) .
Cl1' O7' 1.367(14) .
Cl1' O9' 1.381(13) .
Cl1' O6' 1.441(11) .
Cl1' O8' 1.505(19) .
O2 C8 1.431(4) .
O2 Mn4 2.285(2) 7_565
O3 C10 1.434(4) .
O4 C13 1.430(4) .
O5 C15 1.427(4) .
O5 Mn4 2.101(3) 7_565
N1 C5 1.333(5) .
N1 C1 1.342(5) .
N2 C6 1.477(5) .
N2 C7 1.484(5) .
N2 C9 1.491(5) .
N3 C12 1.471(5) .
N3 C11 1.476(5) .
N3 C14 1.481(5) .
N4 N5 1.204(4) .
N5 N6 1.130(5) .
N7 N8 1.181(3) .
N8 N7 1.181(3) 2_655
N9 C16 1.129(6) .
N10 C18 1.126(5) .
C1 C2 1.379(5) .
C1 C6 1.502(5) .
C2 C3 1.380(6) .
C3 C4 1.373(6) .
C4 C5 1.378(5) .
C5 C11 1.512(5) .
C7 C8 1.502(5) .
C9 C10 1.508(6) .
C12 C13 1.505(5) .
C14 C15 1.524(6) .
C16 C17 1.474(7) .
C18 C19 1.456(6) .
Cl2 O13 1.415(4) .
Cl2 O11 1.417(4) .
Cl2 O10 1.418(3) .
Cl2 O12 1.426(3) .
N11 C20 1.091(14) .
C20 C21 1.393(15) .
