#------------------------------------------------------------------------------
#$Date: 2019-11-23 06:27:04 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232325 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/74/4347456.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_4347456
loop_
_publ_author_name
'Jiang, Xiang'
'Liu, Cai-Ming'
'Kou, Hui-Zhong'
_publ_section_title
;
 Porous Coordination Polymers Based on {Mn6} Single-Molecule Magnets.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5880
_journal_page_last               5885
_journal_paper_doi               10.1021/acs.inorgchem.6b00179
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety
'C35 H33 Mn3 N6 O12,2(C3 H7 N O),C H4 O,2(H2 O)'
_chemical_formula_sum            'C42 H55 Mn3 N8 O17'
_chemical_formula_weight         1108.76
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   39.356(6)
_cell_length_b                   39.356(6)
_cell_length_c                   15.783(3)
_cell_measurement_temperature    293(2)
_cell_volume                     21171(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area-detecter'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2003
_diffrn_reflns_av_unetI/netI     0.1064
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            84626
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.991
_diffrn_reflns_theta_max         24.991
_diffrn_reflns_theta_min         3.027
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_description       block
_exptl_crystal_F_000             10332
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         8284
_refine_ls_number_restraints     196
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.2071
_refine_ls_R_factor_gt           0.1043
_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/[σ²(Fo²)+(0.2000P)²+0.6327P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3003
_refine_ls_wR_factor_ref         0.3516
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3477
_reflns_number_total             8284
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00179_si_004.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        21171(7)
_cod_database_code               4347456
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
C34 C 0.6170(4) -0.0643(4) 1.0016(9) 0.160(5) Uani 1 1 d D U
H34A H 0.6239 -0.0567 0.9435 0.240 Uiso 1 1 calc R U
H34B H 0.6218 -0.0853 1.0150 0.240 Uiso 1 1 calc R U
H34C H 0.6326 -0.0423 1.0378 0.240 Uiso 1 1 calc R U
Mn1 Mn 0.57175(4) 0.04443(5) 0.85237(9) 0.0785(5) Uani 1 1 d . .
Mn2 Mn 0.53305(4) 0.04647(4) 1.02574(9) 0.0719(5) Uani 1 1 d . .
Mn3 Mn 0.61582(4) 0.04783(5) 1.02744(9) 0.0851(6) Uani 1 1 d . .
C25 C 0.7275(3) 0.0399(3) 0.9510(7) 0.083(3) Uani 1 1 d . .
H25 H 0.7316 0.0363 0.8945 0.100 Uiso 1 1 calc R U
C9 C 0.4935(3) 0.0275(3) 0.7927(7) 0.079(3) Uani 1 1 d . .
H9 H 0.4680 0.0217 0.8045 0.095 Uiso 1 1 calc R U
C15 C 0.5436(3) 0.0415(3) 0.6822(6) 0.087(3) Uani 1 1 d . .
C24 C 0.6951(3) 0.0432(3) 0.9734(6) 0.082(3) Uani 1 1 d . .
C27 C 0.7468(3) 0.0467(3) 1.0954(8) 0.098(3) Uani 1 1 d . .
H27 H 0.7645 0.0483 1.1365 0.118 Uiso 1 1 calc R U
C10 C 0.5061(3) 0.0341(3) 0.7043(6) 0.083(3) Uani 1 1 d . .
C23 C 0.6690(3) 0.0410(3) 0.9066(6) 0.083(3) Uani 1 1 d . U
H23 H 0.6754 0.0384 0.8512 0.099 Uiso 1 1 calc R U
C29 C 0.6878(3) 0.0478(3) 1.0593(7) 0.087(3) Uani 1 1 d . .
C26 C 0.7536(3) 0.0419(3) 1.0120(8) 0.095(3) Uani 1 1 d . .
H26 H 0.7755 0.0400 0.9969 0.114 Uiso 1 1 calc R U
C8 C 0.5846(3) 0.1205(3) 0.9199(9) 0.097(3) Uani 1 1 d D U
C28 C 0.7147(3) 0.0492(3) 1.1196(7) 0.091(3) Uani 1 1 d . .
H28 H 0.7106 0.0518 1.1767 0.109 Uiso 1 1 calc R U
C6 C 0.6161(4) 0.1826(4) 1.0030(10) 0.136(5) Uani 1 1 d . .
H6 H 0.6024 0.1684 1.0506 0.163 Uiso 1 1 calc R U
C11 C 0.4807(4) 0.0333(4) 0.6439(8) 0.112(4) Uani 1 1 d . .
H11 H 0.4555 0.0274 0.6592 0.135 Uiso 1 1 calc R U
C18 C 0.4892(3) 0.0563(3) 1.1622(8) 0.094(3) Uani 1 1 d D .
C5 C 0.6104(3) 0.1634(3) 0.9241(9) 0.105(3) Uani 1 1 d D U
C17 C 0.5172(4) 0.0651(4) 1.2213(6) 0.107(4) Uani 1 1 d D .
C16 C 0.5554(4) 0.0674(3) 1.2024(7) 0.105(4) Uani 1 1 d . .
H16 H 0.5737 0.0749 1.2460 0.126 Uiso 1 1 calc R U
C12 C 0.4918(4) 0.0408(5) 0.5652(9) 0.137(5) Uani 1 1 d . .
H12 H 0.4748 0.0416 0.5253 0.164 Uiso 1 1 calc R U
C3 C 0.6567(4) 0.2252(4) 0.8588(11) 0.125(4) Uani 1 1 d . U
H3 H 0.6694 0.2399 0.8110 0.150 Uiso 1 1 calc R U
C19 C 0.4544(4) 0.0517(4) 1.1878(8) 0.119(4) Uani 1 1 d D .
H19 H 0.4349 0.0458 1.1477 0.143 Uiso 1 1 calc R U
C20 C 0.4472(5) 0.0553(6) 1.2696(8) 0.178(8) Uani 1 1 d D .
H20 H 0.4225 0.0508 1.2856 0.213 Uiso 1 1 calc R U
C4 C 0.6328(3) 0.1863(4) 0.8566(8) 0.117(4) Uani 1 1 d D .
H4 H 0.6311 0.1736 0.8059 0.140 Uiso 1 1 calc R U
C14 C 0.5543(4) 0.0481(4) 0.5972(8) 0.127(5) Uani 1 1 d . .
H14 H 0.5789 0.0528 0.5802 0.152 Uiso 1 1 calc R U
C2 C 0.6608(4) 0.2419(4) 0.9393(13) 0.123(4) Uani 1 1 d . U
C7 C 0.6423(5) 0.2228(4) 1.0090(12) 0.141(5) Uani 1 1 d . .
H7 H 0.6468 0.2359 1.0605 0.170 Uiso 1 1 calc R U
C22 C 0.5099(5) 0.0689(6) 1.3036(8) 0.186(6) Uani 1 1 d D U
H22 H 0.5291 0.0741 1.3439 0.224 Uiso 1 1 calc R U
C21 C 0.4754(5) 0.0653(6) 1.3288(10) 0.191(7) Uani 1 1 d D U
H21 H 0.4712 0.0696 1.3848 0.229 Uiso 1 1 calc R U
O5 O 0.49648(16) 0.02073(18) 0.9325(4) 0.0723(16) Uani 1 1 d . .
O4 O 0.5698(2) 0.0412(2) 0.7356(4) 0.099(2) Uani 1 1 d . .
O6 O 0.49416(19) 0.0507(2) 1.0818(4) 0.089(2) Uani 1 1 d . .
O7 O 0.5990(2) 0.0600(2) 1.1302(4) 0.096(2) Uani 1 1 d . .
O2 O 0.5592(2) 0.10405(19) 0.9775(5) 0.098(2) Uani 1 1 d . U
O9 O 0.6185(2) 0.0422(2) 0.8445(4) 0.102(2) Uani 1 1 d . .
O3 O 0.5893(2) 0.1034(2) 0.8571(5) 0.098(2) Uani 1 1 d . .
O1 O 0.6893(2) 0.2822(2) 0.9436(8) 0.151(4) Uani 1 1 d . .
O8 O 0.6573(2) 0.0503(3) 1.0858(4) 0.130(3) Uani 1 1 d . .
O10 O 0.57131(16) 0.03983(17) 0.9699(3) 0.0682(15) Uani 1 1 d . .
N2 N 0.5150(2) 0.0291(2) 0.8549(5) 0.072(2) Uani 1 1 d . .
N4 N 0.6376(2) 0.0423(3) 0.9187(5) 0.083(2) Uani 1 1 d . U
N3 N 0.5647(2) 0.0597(2) 1.1287(5) 0.074(2) Uani 1 1 d . .
C13 C 0.5285(5) 0.0476(5) 0.5393(7) 0.150(6) Uani 1 1 d . .
H13 H 0.5353 0.0518 0.4823 0.180 Uiso 1 1 calc R U
C1 C 0.6774(4) 0.3081(4) 0.9421(10) 0.128(5) Uani 1 1 d . .
N1 N 0.7054(3) 0.3441(3) 0.9416(8) 0.129(4) Uani 1 1 d . .
O12 O 0.5850(3) -0.0167(3) 1.0525(6) 0.153(3) Uani 1 1 d D U
O11 O 0.6536(3) 0.1137(3) 1.0027(7) 0.172(3) Uani 1 1 d D U
C30 C 0.6695(4) 0.1260(4) 0.9361(9) 0.172(3) Uani 1 1 d D U
H30 H 0.6596 0.1104 0.8880 0.207 Uiso 1 1 calc R U
N5 N 0.7029(4) 0.1638(4) 0.9287(9) 0.199(4) Uani 1 1 d D U
C32 C 0.7155(5) 0.1871(5) 0.9987(10) 0.210(6) Uani 1 1 d D U
H32A H 0.7407 0.1912 1.0154 0.315 Uiso 1 1 calc R U
H32B H 0.6971 0.1745 1.0440 0.315 Uiso 1 1 calc R U
H32C H 0.7174 0.2118 0.9860 0.315 Uiso 1 1 calc R U
C31 C 0.7180(6) 0.1768(6) 0.8489(10) 0.255(8) Uani 1 1 d D U
H31A H 0.7051 0.1557 0.8091 0.382 Uiso 1 1 calc R U
H31B H 0.7139 0.1980 0.8330 0.382 Uiso 1 1 calc R U
H31C H 0.7456 0.1858 0.8490 0.382 Uiso 1 1 calc R U
C33 C 0.5653(4) -0.0501(4) 1.0335(8) 0.207(5) Uani 1 1 d D U
H33 H 0.5384 -0.0598 1.0316 0.248 Uiso 1 1 calc R U
N6 N 0.5780(4) -0.0766(3) 1.0135(10) 0.225(5) Uani 1 1 d D U
C35 C 0.5497(5) -0.1137(4) 0.9814(14) 0.285(8) Uani 1 1 d D U
H35A H 0.5381 -0.1319 1.0274 0.427 Uiso 1 1 calc R U
H35B H 0.5621 -0.1231 0.9430 0.427 Uiso 1 1 calc R U
H35C H 0.5296 -0.1112 0.9520 0.427 Uiso 1 1 calc R U
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'
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
O4 Mn1 O10 171.5(3) . .
O4 Mn1 O9 86.5(3) . .
O10 Mn1 O9 91.3(3) . .
O4 Mn1 N2 89.9(3) . .
O10 Mn1 N2 89.8(3) . .
O9 Mn1 N2 162.3(3) . .
O4 Mn1 O3 95.3(3) . .
O10 Mn1 O3 93.1(3) . .
O9 Mn1 O3 105.6(3) . .
N2 Mn1 O3 92.0(3) . .
O4 Mn1 Mn2 149.9(2) . .
O10 Mn1 Mn2 32.54(17) . .
O9 Mn1 Mn2 123.5(2) . .
N2 Mn1 Mn2 60.6(2) . .
O3 Mn1 Mn2 80.5(2) . .
O4 Mn1 Mn3 149.3(2) . .
O10 Mn1 Mn3 29.64(16) . .
O9 Mn1 Mn3 62.8(2) . .
N2 Mn1 Mn3 119.4(2) . .
O3 Mn1 Mn3 92.9(2) . .
Mn2 Mn1 Mn3 60.83(5) . .
O6 Mn2 O10 177.5(3) . .
O6 Mn2 O5 88.8(3) . .
O10 Mn2 O5 90.5(3) . .
O6 Mn2 N3 91.3(3) . .
O10 Mn2 N3 88.8(3) . .
O5 Mn2 N3 166.6(3) . .
O6 Mn2 O2 93.3(3) . .
O10 Mn2 O2 89.1(3) . .
O5 Mn2 O2 97.1(3) . .
N3 Mn2 O2 96.3(3) . .
O6 Mn2 O5 90.1(3) . 10_657
O10 Mn2 O5 87.4(2) . 10_657
O5 Mn2 O5 79.0(2) . 10_657
N3 Mn2 O5 87.6(3) . 10_657
O2 Mn2 O5 174.8(3) . 10_657
O6 Mn2 Mn1 148.4(2) . .
O10 Mn2 Mn1 32.34(17) . .
O5 Mn2 Mn1 64.68(17) . .
N3 Mn2 Mn1 118.5(3) . .
O2 Mn2 Mn1 74.4(2) . .
O5 Mn2 Mn1 100.68(15) 10_657 .
O6 Mn2 Mn3 150.3(2) . .
O10 Mn2 Mn3 29.76(18) . .
O5 Mn2 Mn3 119.39(18) . .
N3 Mn2 Mn3 59.1(2) . .
O2 Mn2 Mn3 92.2(2) . .
O5 Mn2 Mn3 86.81(15) 10_657 .
Mn1 Mn2 Mn3 60.76(5) . .
O8 Mn3 O10 174.2(4) . .
O8 Mn3 O7 88.4(3) . .
O10 Mn3 O7 92.4(3) . .
O8 Mn3 N4 91.0(3) . .
O10 Mn3 N4 88.9(3) . .
O7 Mn3 N4 172.8(4) . .
O8 Mn3 O12 86.2(4) . .
O10 Mn3 O12 87.9(3) . .
O7 Mn3 O12 94.4(3) . .
N4 Mn3 O12 92.7(4) . .
O8 Mn3 O11 88.1(4) . .
O10 Mn3 O11 97.7(3) . .
O7 Mn3 O11 88.3(4) . .
N4 Mn3 O11 84.5(4) . .
O12 Mn3 O11 173.7(4) . .
O8 Mn3 Mn1 151.3(2) . .
O10 Mn3 Mn1 29.77(17) . .
O7 Mn3 Mn1 119.5(2) . .
N4 Mn3 Mn1 60.5(2) . .
O12 Mn3 Mn1 97.4(3) . .
O11 Mn3 Mn1 86.2(3) . .
O8 Mn3 Mn2 150.2(2) . .
O10 Mn3 Mn2 30.06(17) . .
O7 Mn3 Mn2 62.3(2) . .
N4 Mn3 Mn2 118.7(2) . .
O12 Mn3 Mn2 90.8(3) . .
O11 Mn3 Mn2 95.6(3) . .
Mn1 Mn3 Mn2 58.41(5) . .
C26 C25 C24 120.6(10) . .
N2 C9 C10 124.7(9) . .
O4 C15 C14 116.6(10) . .
O4 C15 C10 125.5(9) . .
C14 C15 C10 117.9(10) . .
C25 C24 C29 120.6(9) . .
C25 C24 C23 117.9(9) . .
C29 C24 C23 121.5(9) . .
C28 C27 C26 121.8(11) . .
C11 C10 C15 120.9(10) . .
C11 C10 C9 118.8(10) . .
C15 C10 C9 120.3(9) . .
N4 C23 C24 124.2(9) . .
O8 C29 C28 118.6(10) . .
O8 C29 C24 124.3(9) . .
C28 C29 C24 117.1(10) . .
C27 C26 C25 119.0(10) . .
O2 C8 O3 125.4(9) . .
O2 C8 C5 118.2(12) . .
O3 C8 C5 116.4(11) . .
C27 C28 C29 120.9(10) . .
C7 C6 C5 119.5(14) . .
C12 C11 C10 120.0(12) . .
O6 C18 C19 119.4(10) . .
O6 C18 C17 122.4(9) . .
C19 C18 C17 118.2(12) . .
C4 C5 C6 116.8(11) . .
C4 C5 C8 124.0(12) . .
C6 C5 C8 118.9(11) . .
C18 C17 C22 119.9(12) . .
C18 C17 C16 123.3(9) . .
C22 C17 C16 116.6(11) . .
N3 C16 C17 123.8(10) . .
C11 C12 C13 121.6(12) . .
C4 C3 C2 114.2(14) . .
C20 C19 C18 121.7(12) . .
C19 C20 C21 120.6(14) . .
C3 C4 C5 125.3(14) . .
C13 C14 C15 119.6(12) . .
C7 C2 C3 125.8(14) . .
C7 C2 O1 120.0(17) . .
C3 C2 O1 114.1(15) . .
C2 C7 C6 118.2(16) . .
C21 C22 C17 121.9(14) . .
C20 C21 C22 117.6(15) . .
N2 O5 Mn2 112.5(5) . .
N2 O5 Mn2 114.5(5) . 10_657
Mn2 O5 Mn2 101.0(2) . 10_657
C15 O4 Mn1 129.3(6) . .
C18 O6 Mn2 132.5(6) . .
N3 O7 Mn3 117.3(6) . .
C8 O2 Mn2 130.4(7) . .
N4 O9 Mn1 118.9(5) . .
C8 O3 Mn1 125.0(7) . .
C1 O1 C2 118.4(10) . .
C29 O8 Mn3 130.9(7) . .
Mn3 O10 Mn1 120.6(3) . .
Mn3 O10 Mn2 120.2(3) . .
Mn1 O10 Mn2 115.1(3) . .
C9 N2 O5 114.5(8) . .
C9 N2 Mn1 127.6(7) . .
O5 N2 Mn1 117.8(6) . .
C23 N4 O9 114.0(8) . .
C23 N4 Mn3 128.1(7) . .
O9 N4 Mn3 117.8(6) . .
C16 N3 O7 112.4(9) . .
C16 N3 Mn2 126.3(8) . .
O7 N3 Mn2 121.3(6) . .
C14 C13 C12 120.0(12) . .
N1 C1 O1 114.3(12) . .
N1 C1 N1 127.7(12) . 3_665
O1 C1 N1 117.9(12) . 3_665
C1 N1 C1 112.2(12) . 2_655
C33 O12 Mn3 154.0(9) . .
C30 O11 Mn3 121.5(9) . .
O11 C30 N5 121.4(10) . .
C32 N5 C31 123.3(9) . .
C32 N5 C30 118.4(8) . .
C31 N5 C30 117.8(8) . .
O12 C33 N6 127.3(11) . .
C34 N6 C33 121.3(8) . .
C34 N6 C35 118.7(8) . .
C33 N6 C35 117.3(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C34 N6 1.373(8) .
Mn1 O4 1.846(7) .
Mn1 O10 1.863(6) .
Mn1 O9 1.889(7) .
Mn1 N2 2.002(8) .
Mn1 O3 2.064(8) .
Mn1 Mn2 3.152(2) .
Mn1 Mn3 3.229(2) .
Mn2 O6 1.846(6) .
Mn2 O10 1.872(5) .
Mn2 O5 1.951(6) .
Mn2 N3 1.953(8) .
Mn2 O2 2.107(7) .
Mn2 O5 2.389(6) 10_657
Mn2 Mn3 3.231(2) .
Mn3 O8 1.834(7) .
Mn3 O10 1.855(6) .
Mn3 O7 1.901(7) .
Mn3 N4 1.979(8) .
Mn3 O12 2.235(11) .
Mn3 O11 2.285(11) .
C25 C26 1.381(14) .
C25 C24 1.390(13) .
C9 N2 1.277(11) .
C9 C10 1.459(13) .
C15 O4 1.338(12) .
C15 C14 1.391(14) .
C15 C10 1.398(14) .
C24 C29 1.418(14) .
C24 C23 1.445(13) .
C27 C28 1.369(14) .
C27 C26 1.375(15) .
C10 C11 1.370(14) .
C23 N4 1.275(12) .
C29 O8 1.320(12) .
C29 C28 1.404(14) .
C8 O2 1.263(13) .
C8 O3 1.265(13) .
C8 C5 1.474(9) .
C6 C7 1.396(18) .
C6 C5 1.415(17) .
C11 C12 1.301(16) .
C18 O6 1.320(12) .
C18 C19 1.349(8) .
C18 C17 1.351(8) .
C5 C4 1.388(9) .
C17 C22 1.355(8) .
C17 C16 1.490(16) .
C16 N3 1.300(13) .
C12 C13 1.391(18) .
C3 C4 1.338(16) .
C3 C2 1.40(2) .
C19 C20 1.345(8) .
C20 C21 1.350(8) .
C14 C13 1.359(17) .
C2 C7 1.32(2) .
C2 O1 1.414(15) .
C22 C21 1.352(8) .
O5 N2 1.377(8) .
O5 Mn2 2.389(6) 10_657
O7 N3 1.345(10) .
O9 N4 1.391(9) .
O1 C1 1.319(13) .
C1 N1 1.290(14) .
C1 N1 1.337(14) 3_665
N1 C1 1.337(14) 2_655
O12 C33 1.182(9) .
O11 C30 1.196(9) .
C30 N5 1.415(8) .
N5 C32 1.360(8) .
N5 C31 1.378(8) .
C33 N6 1.401(8) .
N6 C35 1.414(8) .
