#------------------------------------------------------------------------------
#$Date: 2019-11-25 00:51:48 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239810 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/02/4350251.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_4350251
loop_
_publ_author_name
'Tao, Jun'
'Zhang, Yuan-Zhu'
'Bai, Yue-Lin'
'Sato, Osamu'
_publ_section_title
;
 One-dimensional ferromagnetic complexes built with Mn(III)3O units.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4877
_journal_page_last               4879
_journal_paper_doi               10.1021/ic060159y
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C36 H43 Mn3 N6 O10'
_chemical_formula_weight         884.58
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.23(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8026(16)
_cell_length_b                   24.457(5)
_cell_length_c                   21.302(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4012.4(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7783
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.991
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1824
_refine_diff_density_max         1.291
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0651P)²+4.7590P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1259
_refine_ls_wR_factor_ref         0.1327
_reflns_number_gt                6001
_reflns_number_total             7783
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060159ysi20060127_093058.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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_sg_symbol_H-M      P21/n
_cod_database_code               4350251
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Mn1 Mn 0.48560(7) 0.68968(2) 0.56316(2) 0.02621(14) Uani 1 1 d .
Mn2 Mn 0.19803(7) 0.64893(2) 0.44080(2) 0.02497(14) Uani 1 1 d .
Mn3 Mn 0.30760(7) 0.77907(2) 0.45511(2) 0.02563(14) Uani 1 1 d .
O4 O 0.3293(3) 0.70575(9) 0.48694(11) 0.0236(5) Uani 1 1 d .
O1 O 0.6431(4) 0.67385(11) 0.63554(13) 0.0424(7) Uani 1 1 d .
N1 N 0.4186(4) 0.61271(12) 0.55664(14) 0.0275(6) Uani 1 1 d .
N2 N 0.2984(4) 0.59526(12) 0.50707(14) 0.0294(7) Uani 1 1 d .
C1 C 0.6791(5) 0.62740(16) 0.66868(18) 0.0325(8) Uani 1 1 d .
C2 C 0.7995(5) 0.63067(17) 0.72510(19) 0.0368(9) Uani 1 1 d .
H2A H 0.8494 0.6642 0.7378 0.044 Uiso 1 1 calc R
C3 C 0.8450(5) 0.58482(17) 0.76206(18) 0.0375(9) Uani 1 1 d .
H3A H 0.9240 0.5882 0.7995 0.045 Uiso 1 1 calc R
C4 C 0.7756(5) 0.53408(16) 0.74448(18) 0.0348(9) Uani 1 1 d .
C5 C 0.6575(5) 0.53039(16) 0.68877(18) 0.0339(8) Uani 1 1 d .
H5A H 0.6108 0.4964 0.6762 0.041 Uiso 1 1 calc R
C6 C 0.6057(5) 0.57596(15) 0.65071(17) 0.0305(8) Uani 1 1 d .
C7 C 0.4765(5) 0.56963(15) 0.59329(17) 0.0300(8) Uani 1 1 d .
C8 C 0.3911(5) 0.52291(16) 0.56681(19) 0.0364(9) Uani 1 1 d .
H8A H 0.4043 0.4873 0.5821 0.044 Uiso 1 1 calc R
C9 C 0.2822(5) 0.54091(15) 0.51279(19) 0.0346(9) Uani 1 1 d .
H9A H 0.2091 0.5187 0.4848 0.041 Uiso 1 1 calc R
C10 C 0.8262(6) 0.48364(18) 0.7848(2) 0.0438(10) Uani 1 1 d .
H10A H 0.9091 0.4936 0.8213 0.066 Uiso 1 1 calc R
H10B H 0.8768 0.4570 0.7601 0.066 Uiso 1 1 calc R
H10C H 0.7249 0.4684 0.7984 0.066 Uiso 1 1 calc R
O2 O 0.0722(3) 0.59317(11) 0.39670(12) 0.0353(6) Uani 1 1 d .
N3 N 0.1128(4) 0.69898(12) 0.37190(14) 0.0288(6) Uani 1 1 d .
N4 N 0.1653(4) 0.75245(12) 0.37409(14) 0.0297(7) Uani 1 1 d .
C11 C -0.0399(5) 0.59197(17) 0.34118(17) 0.0319(8) Uani 1 1 d .
C12 C -0.1289(5) 0.54303(18) 0.3259(2) 0.0400(9) Uani 1 1 d .
H12A H -0.1108 0.5135 0.3536 0.048 Uiso 1 1 calc R
C13 C -0.2446(5) 0.53825(19) 0.2692(2) 0.0446(11) Uani 1 1 d .
H13A H -0.3026 0.5053 0.2597 0.054 Uiso 1 1 calc R
C14 C -0.2753(5) 0.5813(2) 0.22671(19) 0.0424(10) Uani 1 1 d .
C15 C -0.1882(5) 0.62952(18) 0.24219(18) 0.0370(9) Uani 1 1 d .
H15A H -0.2079 0.6587 0.2140 0.044 Uiso 1 1 calc R
C16 C -0.0699(5) 0.63655(16) 0.29930(17) 0.0311(8) Uani 1 1 d .
C17 C 0.0108(5) 0.68984(16) 0.31481(16) 0.0309(8) Uani 1 1 d .
C18 C 0.0005(5) 0.73872(17) 0.28036(18) 0.0393(9) Uani 1 1 d .
H18A H -0.0592 0.7447 0.2395 0.047 Uiso 1 1 calc R
C19 C 0.0967(5) 0.77621(17) 0.31919(18) 0.0358(9) Uani 1 1 d .
H19A H 0.1118 0.8126 0.3089 0.043 Uiso 1 1 calc R
C20 C -0.4051(6) 0.5760(2) 0.1662(2) 0.0554(13) Uani 1 1 d .
H20A H -0.4094 0.6096 0.1427 0.083 Uiso 1 1 calc R
H20B H -0.5178 0.5682 0.1766 0.083 Uiso 1 1 calc R
H20C H -0.3704 0.5468 0.1408 0.083 Uiso 1 1 calc R
O3 O 0.2928(4) 0.85054(10) 0.42575(12) 0.0330(6) Uani 1 1 d .
N5 N 0.4407(4) 0.80489(12) 0.53523(14) 0.0277(6) Uani 1 1 d .
N6 N 0.5345(4) 0.76925(12) 0.57673(14) 0.0311(7) Uani 1 1 d .
C21 C 0.2913(5) 0.89694(15) 0.45953(17) 0.0298(8) Uani 1 1 d .
C22 C 0.2064(5) 0.94261(16) 0.43022(19) 0.0349(9) Uani 1 1 d .
H22A H 0.1511 0.9401 0.3883 0.042 Uiso 1 1 calc R
C23 C 0.2030(5) 0.99149(16) 0.4624(2) 0.0395(9) Uani 1 1 d .
H23A H 0.1430 1.0210 0.4419 0.047 Uiso 1 1 calc R
C24 C 0.2862(5) 0.99771(16) 0.5240(2) 0.0368(9) Uani 1 1 d .
C25 C 0.3712(5) 0.95274(16) 0.55364(19) 0.0339(8) Uani 1 1 d .
H25A H 0.4270 0.9561 0.5954 0.041 Uiso 1 1 calc R
C26 C 0.3761(5) 0.90244(15) 0.52290(17) 0.0285(8) Uani 1 1 d .
C27 C 0.4655(5) 0.85624(15) 0.55734(17) 0.0290(8) Uani 1 1 d .
C28 C 0.5797(6) 0.85353(16) 0.61523(19) 0.0392(9) Uani 1 1 d .
H28A H 0.6217 0.8826 0.6415 0.047 Uiso 1 1 calc R
C29 C 0.6165(6) 0.79893(16) 0.62506(19) 0.0386(9) Uani 1 1 d .
H29A H 0.6882 0.7847 0.6603 0.046 Uiso 1 1 calc R
C30 C 0.2820(6) 1.05145(17) 0.5596(2) 0.0456(11) Uani 1 1 d .
H30A H 0.2180 1.0781 0.5322 0.068 Uiso 1 1 calc R
H30B H 0.3985 1.0642 0.5729 0.068 Uiso 1 1 calc R
H30C H 0.2267 1.0460 0.5963 0.068 Uiso 1 1 calc R
O5 O 0.6945(3) 0.68167(12) 0.49446(15) 0.0440(7) Uani 1 1 d .
O6 O 0.9757(3) 0.67761(10) 0.49222(14) 0.0374(6) Uani 1 1 d .
C31 C 0.8345(5) 0.65592(15) 0.49996(18) 0.0309(8) Uani 1 1 d .
C32 C 0.8355(6) 0.59617(17) 0.5157(2) 0.0455(11) Uani 1 1 d .
H32A H 0.7204 0.5848 0.5204 0.068 Uiso 1 1 calc R
H32B H 0.9130 0.5898 0.5548 0.068 Uiso 1 1 calc R
H32C H 0.8737 0.5757 0.4821 0.068 Uiso 1 1 calc R
O7 O 0.4431(4) 0.63058(13) 0.39604(14) 0.0463(7) Uani 1 1 d .
H7 H 0.5280 0.6469 0.4184 0.056 Uiso 1 1 d R
C33 C 0.4530(7) 0.6415(2) 0.3314(2) 0.0553(12) Uani 1 1 d .
H33A H 0.5651 0.6309 0.3225 0.083 Uiso 1 1 calc R
H33B H 0.4357 0.6799 0.3232 0.083 Uiso 1 1 calc R
H33C H 0.3647 0.6211 0.3046 0.083 Uiso 1 1 calc R
O8 O 0.5596(4) 0.76269(11) 0.41622(13) 0.0386(6) Uani 1 1 d .
H8 H 0.6344 0.7468 0.4436 0.046 Uiso 1 1 d R
C34 C 0.6387(7) 0.7927(2) 0.3726(3) 0.0676(16) Uani 1 1 d .
H34A H 0.7440 0.7748 0.3662 0.101 Uiso 1 1 calc R
H34B H 0.6651 0.8288 0.3890 0.101 Uiso 1 1 calc R
H34C H 0.5612 0.7950 0.3329 0.101 Uiso 1 1 calc R
O9 O 0.0509(4) 0.78367(12) 0.49571(19) 0.0577(10) Uani 1 1 d .
H9 H 0.0270 0.7522 0.5089 0.069 Uiso 1 1 d R
C35 C -0.0324(10) 0.8210(2) 0.5235(5) 0.121(4) Uani 1 1 d .
H35A H -0.1381 0.8057 0.5334 0.182 Uiso 1 1 calc R
H35B H -0.0590 0.8516 0.4954 0.182 Uiso 1 1 calc R
H35C H 0.0392 0.8329 0.5619 0.182 Uiso 1 1 calc R
O10 O 0.2521(5) 0.7038(2) 0.61811(19) 0.0838(13) Uani 1 1 d .
H10 H 0.1695 0.7033 0.5868 0.101 Uiso 1 1 d R
C36 C 0.1856(13) 0.6693(5) 0.6576(4) 0.179(6) Uani 1 1 d .
H36A H 0.0889 0.6864 0.6725 0.268 Uiso 1 1 calc R
H36B H 0.2732 0.6606 0.6932 0.268 Uiso 1 1 calc R
H36C H 0.1474 0.6363 0.6351 0.268 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'
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 O4 178.09(13) . .
O1 Mn1 N1 89.54(12) . .
O4 Mn1 N1 90.62(11) . .
O1 Mn1 N6 89.85(12) . .
O4 Mn1 N6 90.20(11) . .
N1 Mn1 N6 173.41(13) . .
O1 Mn1 O10 94.61(16) . .
O4 Mn1 O10 87.29(13) . .
N1 Mn1 O10 87.53(15) . .
N6 Mn1 O10 85.99(16) . .
O1 Mn1 O5 93.81(13) . .
O4 Mn1 O5 84.28(10) . .
N1 Mn1 O5 94.55(12) . .
N6 Mn1 O5 92.04(12) . .
O10 Mn1 O5 171.34(13) . .
O2 Mn2 O4 179.28(12) . .
O2 Mn2 N3 89.50(12) . .
O4 Mn2 N3 91.19(11) . .
O2 Mn2 N2 89.44(12) . .
O4 Mn2 N2 89.85(11) . .
N3 Mn2 N2 175.44(13) . .
O2 Mn2 O6 95.00(11) . 1_455
O4 Mn2 O6 85.20(10) . 1_455
N3 Mn2 O6 88.55(12) . 1_455
N2 Mn2 O6 95.96(12) . 1_455
O2 Mn2 O7 93.11(12) . .
O4 Mn2 O7 86.70(11) . .
N3 Mn2 O7 90.94(12) . .
N2 Mn2 O7 84.69(12) . .
O6 Mn2 O7 171.86(10) 1_455 .
O3 Mn3 O4 178.31(11) . .
O3 Mn3 N5 89.18(12) . .
O4 Mn3 N5 89.36(11) . .
O3 Mn3 N4 91.14(12) . .
O4 Mn3 N4 90.35(11) . .
N5 Mn3 N4 178.43(13) . .
O3 Mn3 O8 93.08(11) . .
O4 Mn3 O8 86.08(10) . .
N5 Mn3 O8 90.33(12) . .
N4 Mn3 O8 91.19(12) . .
O3 Mn3 O9 93.99(12) . .
O4 Mn3 O9 86.90(11) . .
N5 Mn3 O9 91.63(14) . .
N4 Mn3 O9 86.81(13) . .
O8 Mn3 O9 172.69(10) . .
Mn2 O4 Mn1 120.42(12) . .
Mn2 O4 Mn3 119.41(12) . .
Mn1 O4 Mn3 120.16(12) . .
C1 O1 Mn1 132.0(2) . .
C7 N1 N2 109.2(3) . .
C7 N1 Mn1 130.7(2) . .
N2 N1 Mn1 120.0(2) . .
C9 N2 N1 107.6(3) . .
C9 N2 Mn2 133.2(3) . .
N1 N2 Mn2 119.0(2) . .
O1 C1 C2 117.2(3) . .
O1 C1 C6 124.8(3) . .
C2 C1 C6 118.0(3) . .
C3 C2 C1 121.1(4) . .
C4 C3 C2 121.3(4) . .
C3 C4 C5 118.0(3) . .
C3 C4 C10 121.4(4) . .
C5 C4 C10 120.6(4) . .
C4 C5 C6 122.4(4) . .
C5 C6 C1 119.1(3) . .
C5 C6 C7 119.8(3) . .
C1 C6 C7 121.1(3) . .
N1 C7 C8 108.2(3) . .
N1 C7 C6 121.6(3) . .
C8 C7 C6 130.1(3) . .
C9 C8 C7 105.3(3) . .
N2 C9 C8 109.6(3) . .
C11 O2 Mn2 132.6(3) . .
C17 N3 N4 108.4(3) . .
C17 N3 Mn2 130.6(3) . .
N4 N3 Mn2 120.7(2) . .
C19 N4 N3 108.0(3) . .
C19 N4 Mn3 134.4(3) . .
N3 N4 Mn3 117.4(2) . .
O2 C11 C12 116.8(4) . .
O2 C11 C16 123.8(3) . .
C12 C11 C16 119.4(3) . .
C13 C12 C11 120.3(4) . .
C14 C13 C12 121.6(4) . .
C15 C14 C13 118.0(4) . .
C15 C14 C20 121.1(4) . .
C13 C14 C20 120.9(4) . .
C14 C15 C16 122.7(4) . .
C11 C16 C15 118.1(4) . .
C11 C16 C17 121.8(3) . .
C15 C16 C17 120.0(4) . .
N3 C17 C18 107.7(3) . .
N3 C17 C16 121.1(3) . .
C18 C17 C16 131.1(3) . .
C19 C18 C17 105.9(3) . .
N4 C19 C18 109.9(4) . .
C21 O3 Mn3 128.4(2) . .
C27 N5 N6 109.7(3) . .
C27 N5 Mn3 129.3(2) . .
N6 N5 Mn3 120.9(2) . .
C29 N6 N5 107.0(3) . .
C29 N6 Mn1 134.3(3) . .
N5 N6 Mn1 117.3(2) . .
O3 C21 C22 118.7(3) . .
O3 C21 C26 123.3(3) . .
C22 C21 C26 117.9(3) . .
C23 C22 C21 121.1(4) . .
C24 C23 C22 121.7(4) . .
C23 C24 C25 117.7(4) . .
C23 C24 C30 121.8(4) . .
C25 C24 C30 120.5(4) . .
C24 C25 C26 122.3(4) . .
C25 C26 C21 119.2(3) . .
C25 C26 C27 119.5(3) . .
C21 C26 C27 121.3(3) . .
N5 C27 C28 107.4(3) . .
N5 C27 C26 121.1(3) . .
C28 C27 C26 131.5(3) . .
C29 C28 C27 105.5(3) . .
N6 C29 C28 110.4(3) . .
C31 O5 Mn1 131.4(3) . .
C31 O6 Mn2 132.6(2) . 1_655
O5 C31 O6 123.1(4) . .
O5 C31 C32 119.1(3) . .
O6 C31 C32 117.9(3) . .
C33 O7 Mn2 122.8(3) . .
C34 O8 Mn3 130.0(3) . .
C35 O9 Mn3 136.4(3) . .
C36 O10 Mn1 128.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 1.852(3) .
Mn1 O4 1.908(2) .
Mn1 N1 1.953(3) .
Mn1 N6 1.995(3) .
Mn1 O10 2.344(4) .
Mn1 O5 2.367(3) .
Mn2 O2 1.847(3) .
Mn2 O4 1.904(2) .
Mn2 N3 1.945(3) .
Mn2 N2 1.994(3) .
Mn2 O6 2.305(3) 1_455
Mn2 O7 2.314(3) .
Mn3 O3 1.854(3) .
Mn3 O4 1.915(2) .
Mn3 N5 1.955(3) .
Mn3 N4 2.005(3) .
Mn3 O8 2.288(3) .
Mn3 O9 2.308(3) .
O1 C1 1.343(4) .
N1 C7 1.346(5) .
N1 N2 1.364(4) .
N2 C9 1.343(5) .
C1 C2 1.403(5) .
C1 C6 1.410(5) .
C2 C3 1.384(5) .
C3 C4 1.381(6) .
C4 C5 1.384(5) .
C4 C10 1.519(5) .
C5 C6 1.399(5) .
C6 C7 1.463(5) .
C7 C8 1.396(5) .
C8 C9 1.388(5) .
O2 C11 1.354(4) .
N3 C17 1.361(4) .
N3 N4 1.369(4) .
N4 C19 1.338(5) .
C11 C12 1.396(6) .
C11 C16 1.404(6) .
C12 C13 1.391(6) .
C13 C14 1.385(7) .
C14 C15 1.374(6) .
C14 C20 1.512(5) .
C15 C16 1.415(5) .
C16 C17 1.462(5) .
C17 C18 1.398(6) .
C18 C19 1.374(6) .
O3 C21 1.345(4) .
N5 C27 1.344(5) .
N5 N6 1.367(4) .
N6 C29 1.336(5) .
C21 C22 1.394(5) .
C21 C26 1.411(5) .
C22 C23 1.381(6) .
C23 C24 1.376(6) .
C24 C25 1.383(6) .
C24 C30 1.520(5) .
C25 C26 1.397(5) .
C26 C27 1.462(5) .
C27 C28 1.403(5) .
C28 C29 1.375(6) .
O5 C31 1.250(4) .
O6 C31 1.257(4) .
O6 Mn2 2.305(3) 1_655
C31 C32 1.499(5) .
O7 C33 1.417(5) .
O8 C34 1.402(5) .
O9 C35 1.314(6) .
O10 C36 1.353(10) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H7 O5 0.85 2.09 2.913(4) 163.2 .
O8 H8 O5 0.85 1.94 2.692(4) 146.7 .
O9 H9 O6 0.85 1.89 2.658(4) 149.6 1_455
O10 H10 O6 0.85 2.40 3.224(5) 163.5 1_455
