#------------------------------------------------------------------------------
#$Date: 2021-05-17 11:06:00 +0300 (Mon, 17 May 2021) $
#$Revision: 265269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/25/1562591.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_1562591
loop_
_publ_author_name
'Liu, Sui-Jun'
'Zeng, Yong-Fei'
'Hu, Xin'
'Xue, Li'
'Han, Song-De'
'Jia, Ji-Min'
'Hu, Tong-Liang'
_publ_section_title
;
 Five new Mn(II)/Co(II) coordination polymers constructed from flexible
 multicarboxylate ligands with varying magnetic properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              197
_journal_page_last               204
_journal_paper_doi               10.1016/j.jssc.2013.05.027
_journal_volume                  204
_journal_year                    2013
_chemical_formula_moiety         'C30 H46 Mn4 N2 O18'
_chemical_formula_sum            'C30 H46 Mn4 N2 O18'
_chemical_formula_weight         942.45
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 120.57(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.368(3)
_cell_length_b                   13.606(3)
_cell_length_c                   26.886(8)
_cell_measurement_reflns_used    32298
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.0
_cell_volume                     4525(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  scx-mini
_diffrn_measurement_method       'ω scan'
_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  0.0835
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37582
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.841
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.445
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     constr
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         7969
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.0888
_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)+(0.1120P)²+19.6023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2296
_refine_ls_wR_factor_ref         0.2504
_reflns_number_gt                5744
_reflns_number_total             7969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2013-204-197.cif
_cod_data_source_block           3
_cod_original_cell_volume        4525.4(19)
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               1562591
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 1.13266(9) 0.78136(8) 0.66201(5) 0.0337(3) Uani 1 1 d . . .
Mn2 Mn 0.78569(10) 0.51408(8) 0.63350(5) 0.0367(3) Uani 1 1 d . . .
Mn3 Mn 0.78500(9) 0.99848(8) 0.25450(5) 0.0338(3) Uani 1 1 d . . .
Mn4 Mn 0.87524(10) 0.74717(8) 0.61038(5) 0.0354(3) Uani 1 1 d . . .
O1 O 1.0647(5) 0.7711(5) 0.5707(3) 0.0544(16) Uani 1 1 d . . .
O2 O 0.8902(6) 0.7394(5) 0.5358(3) 0.0662(19) Uani 1 1 d . . .
O3 O 0.7811(4) 1.0824(4) 0.3269(2) 0.0423(13) Uani 1 1 d . . .
O4 O 0.7474(5) 0.9257(4) 0.3171(3) 0.0504(15) Uani 1 1 d . . .
O5 O 0.6962(5) 0.7895(4) 0.5537(3) 0.0642(19) Uani 1 1 d . . .
O6 O 0.7424(4) 0.6353(4) 0.5738(2) 0.0422(13) Uani 1 1 d . . .
O9 O 0.9509(5) 0.5171(4) 0.6542(3) 0.0503(15) Uani 1 1 d . . .
O10 O 1.0226(4) 0.6605(3) 0.6536(2) 0.0398(13) Uani 1 1 d . . .
O11 O 1.1937(4) 0.1147(3) 0.7953(2) 0.0385(13) Uani 1 1 d . . .
O12 O 1.1406(6) 0.2551(4) 0.8156(3) 0.0586(18) Uani 1 1 d . . .
O13 O 1.1860(5) 0.7731(4) 0.7540(2) 0.0441(14) Uani 1 1 d . . .
O14 O 1.1698(4) 0.9085(3) 0.7947(2) 0.0391(13) Uani 1 1 d . . .
O17 O 1.2834(5) 0.7088(4) 0.6840(3) 0.0532(16) Uani 1 1 d . . .
O18 O 0.7592(6) 0.4198(4) 0.5600(3) 0.0567(17) Uani 1 1 d . . .
N1 N 1.4628(9) 0.7126(9) 0.7387(5) 0.099(3) Uiso 1 1 d . . .
N2 N 0.7834(7) 0.4034(6) 0.4840(3) 0.062(2) Uani 1 1 d . . .
C1 C 0.9693(10) 0.7552(7) 0.5301(4) 0.057(3) Uani 1 1 d . . .
C2 C 0.9499(10) 0.7563(9) 0.4692(4) 0.080(4) Uani 1 1 d . . .
H2A H 1.0150 0.7346 0.4700 0.096 Uiso 1 1 calc R . .
H2B H 0.8926 0.7102 0.4457 0.096 Uiso 1 1 calc R . .
C3 C 0.9204(13) 0.8524(12) 0.4431(5) 0.117(6) Uani 1 1 d . . .
H3A H 0.9042 0.8447 0.4036 0.140 Uiso 1 1 calc R . .
H3B H 0.9851 0.8926 0.4626 0.140 Uiso 1 1 calc R . .
C4 C 0.8337(12) 0.9103(11) 0.4404(7) 0.109(5) Uiso 1 1 d . . .
H4A H 0.7712 0.8674 0.4253 0.130 Uiso 1 1 calc R . .
H4B H 0.8543 0.9249 0.4800 0.130 Uiso 1 1 calc R . .
C5 C 0.7966(13) 1.0014(8) 0.4089(5) 0.092(4) Uani 1 1 d . . .
H5A H 0.8513 1.0510 0.4300 0.110 Uiso 1 1 calc R . .
H5B H 0.7319 1.0214 0.4091 0.110 Uiso 1 1 calc R . .
C6 C 0.7712(7) 1.0020(6) 0.3470(4) 0.045(2) Uani 1 1 d . . .
C7 C 0.6702(7) 0.7014(7) 0.5492(4) 0.052(2) Uani 1 1 d . . .
C8 C 0.5535(8) 0.6645(10) 0.5133(6) 0.088(4) Uani 1 1 d . . .
H8A H 0.5537 0.5932 0.5132 0.106 Uiso 1 1 calc R . .
H8B H 0.5132 0.6860 0.5314 0.106 Uiso 1 1 calc R . .
C9 C 0.4983(10) 0.6999(11) 0.4532(6) 0.104(5) Uani 1 1 d . . .
H9A H 0.4251 0.6744 0.4343 0.125 Uiso 1 1 calc R . .
H9B H 0.4928 0.7708 0.4545 0.125 Uiso 1 1 calc R . .
C10 C 0.5401(12) 0.6792(11) 0.4159(7) 0.107(5) Uiso 1 1 d . . .
H10A H 0.6145 0.7016 0.4350 0.129 Uiso 1 1 calc R . .
H10B H 0.4997 0.7183 0.3811 0.129 Uiso 1 1 calc R . .
C11 C 0.5376(8) 0.5757(9) 0.3983(5) 0.076(3) Uani 1 1 d . . .
H11A H 0.5753 0.5350 0.4325 0.091 Uiso 1 1 calc R . .
H11B H 0.5753 0.5705 0.3770 0.091 Uiso 1 1 calc R . .
C13 C 1.0291(6) 0.5679(5) 0.6618(3) 0.0323(17) Uani 1 1 d . . .
C14 C 1.1351(8) 0.5215(6) 0.6790(4) 0.052(2) Uani 1 1 d . . .
H14A H 1.1873 0.5440 0.7176 0.063 Uiso 1 1 calc R . .
H14B H 1.1587 0.5455 0.6532 0.063 Uiso 1 1 calc R . .
C15 C 1.1383(9) 0.4104(6) 0.6788(4) 0.056(3) Uani 1 1 d . . .
H15A H 1.0745 0.3866 0.6442 0.067 Uiso 1 1 calc R . .
H15B H 1.2010 0.3897 0.6768 0.067 Uiso 1 1 calc R . .
C16 C 1.1430(8) 0.3637(6) 0.7302(4) 0.050(2) Uani 1 1 d . . .
H16A H 1.0773 0.3796 0.7302 0.059 Uiso 1 1 calc R . .
H16B H 1.2032 0.3917 0.7648 0.059 Uiso 1 1 calc R . .
C17 C 1.1562(8) 0.2505(6) 0.7322(4) 0.045(2) Uani 1 1 d . . .
H17A H 1.0951 0.2223 0.6981 0.054 Uiso 1 1 calc R . .
H17B H 1.2210 0.2345 0.7312 0.054 Uiso 1 1 calc R . .
C18 C 1.1637(6) 0.2046(5) 0.7852(3) 0.0361(18) Uani 1 1 d . . .
C19 C 1.1736(6) 0.8151(5) 0.7919(3) 0.0307(17) Uani 1 1 d . . .
C20 C 1.1645(7) 0.7579(5) 0.8367(3) 0.0375(18) Uani 1 1 d . . .
H20A H 1.1025 0.7829 0.8380 0.045 Uiso 1 1 calc R . .
H20B H 1.2281 0.7719 0.8738 0.045 Uiso 1 1 calc R . .
C21 C 1.1530(7) 0.6467(5) 0.8300(3) 0.041(2) Uani 1 1 d . . .
H21A H 1.0832 0.6303 0.7969 0.050 Uiso 1 1 calc R . .
H21B H 1.2087 0.6205 0.8235 0.050 Uiso 1 1 calc R . .
C22 C 1.1633(7) 0.6016(6) 0.8839(4) 0.047(2) Uani 1 1 d . . .
H22A H 1.1125 0.6343 0.8921 0.056 Uiso 1 1 calc R . .
H22B H 1.2354 0.6151 0.9159 0.056 Uiso 1 1 calc R . .
C23 C 1.1438(7) 0.4920(6) 0.8817(4) 0.050(2) Uani 1 1 d . . .
H23A H 1.1818 0.4610 0.8646 0.060 Uiso 1 1 calc R . .
H23B H 1.1763 0.4683 0.9211 0.060 Uiso 1 1 calc R . .
C25 C 1.3685(7) 0.7457(8) 0.7213(5) 0.065(3) Uani 1 1 d . . .
H25A H 1.3635 0.8033 0.7384 0.077 Uiso 1 1 calc R . .
C26 C 1.482(2) 0.6251(18) 0.7122(10) 0.209(10) Uiso 1 1 d . . .
H26A H 1.4138 0.5948 0.6859 0.313 Uiso 1 1 calc R . .
H26B H 1.5266 0.5791 0.7420 0.313 Uiso 1 1 calc R . .
H26C H 1.5172 0.6448 0.6917 0.313 Uiso 1 1 calc R . .
C27 C 1.5682(11) 0.7648(15) 0.7800(8) 0.170(10) Uani 1 1 d . . .
H27A H 1.5532 0.8207 0.7966 0.255 Uiso 1 1 calc R . .
H27B H 1.6027 0.7862 0.7592 0.255 Uiso 1 1 calc R . .
H27C H 1.6152 0.7204 0.8102 0.255 Uiso 1 1 calc R . .
C28 C 0.7897(8) 0.4501(7) 0.5279(4) 0.056(2) Uani 1 1 d . . .
H28A H 0.8203 0.5125 0.5355 0.067 Uiso 1 1 calc R . .
C29 C 0.7322(12) 0.3035(10) 0.4702(6) 0.113(5) Uani 1 1 d . . .
H29A H 0.7146 0.2852 0.4990 0.169 Uiso 1 1 calc R . .
H29B H 0.7817 0.2564 0.4700 0.169 Uiso 1 1 calc R . .
H29C H 0.6674 0.3048 0.4329 0.169 Uiso 1 1 calc R . .
C30 C 0.8178(10) 0.4448(10) 0.4464(5) 0.087(4) Uani 1 1 d . . .
H30A H 0.8503 0.5079 0.4609 0.131 Uiso 1 1 calc R . .
H30B H 0.7563 0.4522 0.4082 0.131 Uiso 1 1 calc R . .
H30C H 0.8695 0.4018 0.4451 0.131 Uiso 1 1 calc R . .
O7 O 0.3803(5) 0.5363(5) 0.3065(3) 0.0528(16) Uani 1 1 d . . .
O8 O 0.3762(5) 0.5099(5) 0.3877(3) 0.0624(18) Uani 1 1 d . . .
C12 C 0.4209(7) 0.5370(7) 0.3602(4) 0.047(2) Uani 1 1 d . . .
O15 O 1.0119(4) 0.3669(3) 0.8538(2) 0.0380(13) Uani 1 1 d . . .
O16 O 0.9553(4) 0.5183(4) 0.8200(2) 0.0409(13) Uani 1 1 d . . .
C24 C 1.0283(6) 0.4580(5) 0.8491(3) 0.0315(17) 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'
Mn Mn 0.3368 0.7283 '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'
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 O3 96.3(2) . 3_776
O1 Mn1 O17 95.3(2) . .
O3 Mn1 O17 86.0(2) 3_776 .
O1 Mn1 O13 171.2(2) . .
O3 Mn1 O13 92.4(2) 3_776 .
O17 Mn1 O13 86.6(2) . .
O1 Mn1 O10 87.0(2) . .
O3 Mn1 O10 168.6(2) 3_776 .
O17 Mn1 O10 104.6(2) . .
O13 Mn1 O10 84.2(2) . .
O1 Mn1 O15 88.8(2) . 2_756
O3 Mn1 O15 89.5(2) 3_776 2_756
O17 Mn1 O15 174.2(2) . 2_756
O13 Mn1 O15 89.9(2) . 2_756
O10 Mn1 O15 79.66(19) . 2_756
O1 Mn1 Mn4 75.21(18) . .
O3 Mn1 Mn4 128.87(15) 3_776 .
O17 Mn1 Mn4 144.18(18) . .
O13 Mn1 Mn4 98.26(17) . .
O10 Mn1 Mn4 41.61(13) . .
O15 Mn1 Mn4 41.05(13) 2_756 .
O8 Mn2 O9 172.2(2) 3_666 .
O8 Mn2 O6 93.2(2) 3_666 .
O9 Mn2 O6 92.3(2) . .
O8 Mn2 O18 90.2(3) 3_666 .
O9 Mn2 O18 84.8(2) . .
O6 Mn2 O18 85.7(2) . .
O8 Mn2 O14 85.8(2) 3_666 2_746
O9 Mn2 O14 89.7(2) . 2_746
O6 Mn2 O14 170.1(2) . 2_746
O18 Mn2 O14 104.0(2) . 2_746
O8 Mn2 O11 88.5(2) 3_666 2_756
O9 Mn2 O11 96.8(2) . 2_756
O6 Mn2 O11 91.8(2) . 2_756
O18 Mn2 O11 177.2(2) . 2_756
O14 Mn2 O11 78.39(18) 2_746 2_756
O8 Mn2 Mn3 72.58(18) 3_666 4_576
O9 Mn2 Mn3 107.82(18) . 4_576
O6 Mn2 Mn3 129.42(16) . 4_576
O18 Mn2 Mn3 140.42(17) . 4_576
O14 Mn2 Mn3 41.05(13) 2_746 4_576
O11 Mn2 Mn3 41.27(13) 2_756 4_576
O7 Mn3 O14 87.3(2) 2_655 3_776
O7 Mn3 O11 98.5(2) 2_655 3_766
O14 Mn3 O11 81.75(19) 3_776 3_766
O7 Mn3 O16 172.0(2) 2_655 4_575
O14 Mn3 O16 89.6(2) 3_776 4_575
O11 Mn3 O16 88.4(2) 3_766 4_575
O7 Mn3 O4 94.8(2) 2_655 .
O14 Mn3 O4 169.3(2) 3_776 .
O11 Mn3 O4 108.3(2) 3_766 .
O16 Mn3 O4 87.0(2) 4_575 .
O7 Mn3 O3 92.0(2) 2_655 .
O14 Mn3 O3 112.1(2) 3_776 .
O11 Mn3 O3 163.18(19) 3_766 .
O16 Mn3 O3 82.4(2) 4_575 .
O4 Mn3 O3 57.4(2) . .
O7 Mn3 C6 97.7(3) 2_655 .
O14 Mn3 C6 140.5(2) 3_776 .
O11 Mn3 C6 135.3(2) 3_766 .
O16 Mn3 C6 80.1(3) 4_575 .
O4 Mn3 C6 28.8(2) . .
O3 Mn3 C6 29.1(2) . .
O7 Mn3 Mn2 79.30(16) 2_655 4_575
O14 Mn3 Mn2 42.61(14) 3_776 4_575
O11 Mn3 Mn2 43.31(13) 3_766 4_575
O16 Mn3 Mn2 103.24(16) 4_575 4_575
O4 Mn3 Mn2 148.11(16) . 4_575
O3 Mn3 Mn2 152.94(14) . 4_575
C6 Mn3 Mn2 175.9(2) . 4_575
O12 Mn4 O2 179.7(3) 2_756 .
O12 Mn4 O15 87.5(2) 2_756 2_756
O2 Mn4 O15 92.6(2) . 2_756
O12 Mn4 O10 93.8(3) 2_756 .
O2 Mn4 O10 86.5(2) . .
O15 Mn4 O10 82.18(19) 2_756 .
O12 Mn4 O6 88.4(2) 2_756 .
O2 Mn4 O6 91.4(2) . .
O15 Mn4 O6 172.6(2) 2_756 .
O10 Mn4 O6 104.3(2) . .
O12 Mn4 O5 89.5(3) 2_756 .
O2 Mn4 O5 90.1(3) . .
O15 Mn4 O5 116.2(2) 2_756 .
O10 Mn4 O5 161.5(2) . .
O6 Mn4 O5 57.5(2) . .
O12 Mn4 C7 88.7(3) 2_756 .
O2 Mn4 C7 91.0(3) . .
O15 Mn4 C7 144.4(3) 2_756 .
O10 Mn4 C7 133.4(3) . .
O6 Mn4 C7 29.2(2) . .
O5 Mn4 C7 28.4(2) . .
O12 Mn4 Mn1 103.5(2) 2_756 .
O2 Mn4 Mn1 76.8(2) . .
O15 Mn4 Mn1 42.81(13) 2_756 .
O10 Mn4 Mn1 42.51(14) . .
O6 Mn4 Mn1 144.47(15) . .
O5 Mn4 Mn1 153.15(17) . .
C7 Mn4 Mn1 166.9(2) . .
C1 O1 Mn1 131.6(6) . .
C1 O2 Mn4 130.3(6) . .
C6 O3 Mn1 150.0(6) . 3_776
C6 O3 Mn3 89.3(5) . .
Mn1 O3 Mn3 106.6(2) 3_776 .
C6 O4 Mn3 91.4(5) . .
C7 O5 Mn4 90.1(5) . .
C7 O6 Mn2 140.8(6) . .
C7 O6 Mn4 92.0(5) . .
Mn2 O6 Mn4 109.5(2) . .
C13 O9 Mn2 147.2(5) . .
C13 O10 Mn4 126.5(5) . .
C13 O10 Mn1 137.1(5) . .
Mn4 O10 Mn1 95.89(19) . .
C18 O11 Mn3 133.6(5) . 3_766
C18 O11 Mn2 130.2(5) . 2_746
Mn3 O11 Mn2 95.43(18) 3_766 2_746
C18 O12 Mn4 141.9(5) . 2_746
C19 O13 Mn1 141.3(5) . .
C19 O14 Mn3 120.9(5) . 3_776
C19 O14 Mn2 133.8(5) . 2_756
Mn3 O14 Mn2 96.33(19) 3_776 2_756
C25 O17 Mn1 118.5(6) . .
C28 O18 Mn2 118.2(6) . .
C25 N1 C26 122.0(15) . .
C25 N1 C27 125.6(13) . .
C26 N1 C27 111.5(14) . .
C28 N2 C30 123.6(10) . .
C28 N2 C29 117.7(10) . .
C30 N2 C29 118.7(9) . .
O2 C1 O1 125.7(9) . .
O2 C1 C2 117.3(10) . .
O1 C1 C2 117.0(10) . .
C3 C2 C1 112.5(10) . .
C3 C2 H2A 109.1 . .
C1 C2 H2A 109.1 . .
C3 C2 H2B 109.1 . .
C1 C2 H2B 109.1 . .
H2A C2 H2B 107.8 . .
C2 C3 C4 123.4(13) . .
C2 C3 H3A 106.5 . .
C4 C3 H3A 106.5 . .
C2 C3 H3B 106.5 . .
C4 C3 H3B 106.5 . .
H3A C3 H3B 106.5 . .
C5 C4 C3 123.4(14) . .
C5 C4 H4A 106.5 . .
C3 C4 H4A 106.5 . .
C5 C4 H4B 106.5 . .
C3 C4 H4B 106.5 . .
H4A C4 H4B 106.5 . .
C4 C5 C6 117.4(10) . .
C4 C5 H5A 107.9 . .
C6 C5 H5A 107.9 . .
C4 C5 H5B 107.9 . .
C6 C5 H5B 107.9 . .
H5A C5 H5B 107.2 . .
O4 C6 O3 119.9(8) . .
O4 C6 C5 122.6(8) . .
O3 C6 C5 117.4(8) . .
O4 C6 Mn3 59.8(4) . .
O3 C6 Mn3 61.6(4) . .
C5 C6 Mn3 164.2(8) . .
O5 C7 O6 120.3(8) . .
O5 C7 C8 123.8(8) . .
O6 C7 C8 115.9(9) . .
O5 C7 Mn4 61.5(5) . .
O6 C7 Mn4 58.8(4) . .
C8 C7 Mn4 174.5(8) . .
C9 C8 C7 112.9(9) . .
C9 C8 H8A 109.0 . .
C7 C8 H8A 109.0 . .
C9 C8 H8B 109.0 . .
C7 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C10 C9 C8 121.3(13) . .
C10 C9 H9A 107.0 . .
C8 C9 H9A 107.0 . .
C10 C9 H9B 107.0 . .
C8 C9 H9B 107.0 . .
H9A C9 H9B 106.7 . .
C9 C10 C11 117.4(13) . .
C9 C10 H10A 108.0 . .
C11 C10 H10A 108.0 . .
C9 C10 H10B 108.0 . .
C11 C10 H10B 108.0 . .
H10A C10 H10B 107.2 . .
C10 C11 C12 112.2(10) . .
C10 C11 H11A 109.2 . .
C12 C11 H11A 109.2 . .
C10 C11 H11B 109.2 . .
C12 C11 H11B 109.2 . .
H11A C11 H11B 107.9 . .
O9 C13 O10 122.8(7) . .
O9 C13 C14 120.8(7) . .
O10 C13 C14 116.4(7) . .
C13 C14 C15 116.8(8) . .
C13 C14 H14A 108.1 . .
C15 C14 H14A 108.1 . .
C13 C14 H14B 108.1 . .
C15 C14 H14B 108.1 . .
H14A C14 H14B 107.3 . .
C16 C15 C14 114.2(8) . .
C16 C15 H15A 108.7 . .
C14 C15 H15A 108.7 . .
C16 C15 H15B 108.7 . .
C14 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
C15 C16 C17 113.8(7) . .
C15 C16 H16A 108.8 . .
C17 C16 H16A 108.8 . .
C15 C16 H16B 108.8 . .
C17 C16 H16B 108.8 . .
H16A C16 H16B 107.7 . .
C18 C17 C16 113.2(7) . .
C18 C17 H17A 108.9 . .
C16 C17 H17A 108.9 . .
C18 C17 H17B 108.9 . .
C16 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
O12 C18 O11 124.6(7) . .
O12 C18 C17 118.7(7) . .
O11 C18 C17 116.7(7) . .
O13 C19 O14 121.8(7) . .
O13 C19 C20 121.5(6) . .
O14 C19 C20 116.6(7) . .
C19 C20 C21 118.2(7) . .
C19 C20 H20A 107.8 . .
C21 C20 H20A 107.8 . .
C19 C20 H20B 107.8 . .
C21 C20 H20B 107.8 . .
H20A C20 H20B 107.1 . .
C22 C21 C20 109.9(7) . .
C22 C21 H21A 109.7 . .
C20 C21 H21A 109.7 . .
C22 C21 H21B 109.7 . .
C20 C21 H21B 109.7 . .
H21A C21 H21B 108.2 . .
C21 C22 C23 116.0(7) . .
C21 C22 H22A 108.3 . .
C23 C22 H22A 108.3 . .
C21 C22 H22B 108.3 . .
C23 C22 H22B 108.3 . .
H22A C22 H22B 107.4 . .
C24 C23 C22 117.0(7) . .
C24 C23 H23A 108.0 . .
C22 C23 H23A 108.0 . .
C24 C23 H23B 108.0 . .
C22 C23 H23B 108.0 . .
H23A C23 H23B 107.3 . .
O17 C25 N1 126.1(11) . .
O17 C25 H25A 117.0 . .
N1 C25 H25A 117.0 . .
N1 C26 H26A 109.5 . .
N1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N1 C27 H27A 109.5 . .
N1 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N1 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O18 C28 N2 126.3(10) . .
O18 C28 H28A 116.9 . .
N2 C28 H28A 116.9 . .
N2 C29 H29A 109.5 . .
N2 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N2 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N2 C30 H30A 109.5 . .
N2 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N2 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C12 O7 Mn3 124.5(6) . 2_645
C12 O8 Mn2 134.9(6) . 3_666
O7 C12 O8 126.8(8) . .
O7 C12 C11 118.5(8) . .
O8 C12 C11 114.7(8) . .
C24 O15 Mn4 130.0(5) . 2_746
C24 O15 Mn1 133.5(5) . 2_746
Mn4 O15 Mn1 96.14(19) 2_746 2_746
C24 O16 Mn3 132.8(5) . 4_576
O16 C24 O15 124.1(7) . .
O16 C24 C23 119.5(7) . .
O15 C24 C23 116.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.137(6) .
Mn1 O3 2.164(5) 3_776
Mn1 O17 2.171(6) .
Mn1 O13 2.187(6) .
Mn1 O10 2.212(5) .
Mn1 O15 2.225(5) 2_756
Mn1 Mn4 3.2559(19) .
Mn2 O8 2.120(7) 3_666
Mn2 O9 2.145(6) .
Mn2 O6 2.160(5) .
Mn2 O18 2.220(6) .
Mn2 O14 2.223(5) 2_746
Mn2 O11 2.248(5) 2_756
Mn2 Mn3 3.2626(19) 4_576
Mn3 O7 2.152(6) 2_655
Mn3 O14 2.156(5) 3_776
Mn3 O11 2.162(5) 3_766
Mn3 O16 2.181(5) 4_575
Mn3 O4 2.242(6) .
Mn3 O3 2.282(6) .
Mn3 C6 2.594(9) .
Mn3 Mn2 3.2626(19) 4_575
Mn4 O12 2.117(6) 2_756
Mn4 O2 2.124(7) .
Mn4 O15 2.150(5) 2_756
Mn4 O10 2.173(5) .
Mn4 O6 2.240(5) .
Mn4 O5 2.299(6) .
Mn4 C7 2.616(9) .
O1 C1 1.262(12) .
O2 C1 1.241(12) .
O3 C6 1.261(9) .
O3 Mn1 2.164(5) 3_776
O4 C6 1.249(10) .
O5 C7 1.243(11) .
O6 C7 1.275(10) .
O9 C13 1.244(9) .
O10 C13 1.274(9) .
O11 C18 1.279(9) .
O11 Mn3 2.162(5) 3_766
O11 Mn2 2.248(5) 2_746
O12 C18 1.235(10) .
O12 Mn4 2.117(6) 2_746
O13 C19 1.259(9) .
O14 C19 1.277(8) .
O14 Mn3 2.156(5) 3_776
O14 Mn2 2.223(5) 2_756
O17 C25 1.227(11) .
O18 C28 1.223(11) .
N1 C25 1.270(14) .
N1 C26 1.48(2) .
N1 C27 1.524(18) .
N2 C28 1.302(11) .
N2 C30 1.445(13) .
N2 C29 1.501(15) .
C1 C2 1.515(13) .
C2 C3 1.443(17) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.445(18) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.442(16) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.512(13) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C7 C8 1.533(14) .
C8 C9 1.473(16) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.433(18) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.481(18) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.546(13) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C13 C14 1.489(11) .
C14 C15 1.513(11) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.490(11) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.549(11) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.509(11) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C19 C20 1.493(10) .
C20 C21 1.522(10) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.508(11) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.513(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.502(11) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C25 H25A 0.9300 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9300 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
O7 C12 1.252(10) .
O7 Mn3 2.152(6) 2_645
O8 C12 1.255(11) .
O8 Mn2 2.120(7) 3_666
O15 C24 1.280(9) .
O15 Mn4 2.150(5) 2_746
O15 Mn1 2.225(5) 2_746
O16 C24 1.245(9) .
O16 Mn3 2.181(5) 4_576
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Mn1 Mn4 O12 -176.7(2) . . . 2_756
O3 Mn1 Mn4 O12 -90.6(3) 3_776 . . 2_756
O17 Mn1 Mn4 O12 105.0(3) . . . 2_756
O13 Mn1 Mn4 O12 9.2(2) . . . 2_756
O10 Mn1 Mn4 O12 80.8(3) . . . 2_756
O15 Mn1 Mn4 O12 -71.1(3) 2_756 . . 2_756
O1 Mn1 Mn4 O2 3.2(3) . . . .
O3 Mn1 Mn4 O2 89.3(3) 3_776 . . .
O17 Mn1 Mn4 O2 -75.1(4) . . . .
O13 Mn1 Mn4 O2 -170.9(3) . . . .
O10 Mn1 Mn4 O2 -99.4(3) . . . .
O15 Mn1 Mn4 O2 108.8(3) 2_756 . . .
O1 Mn1 Mn4 O15 -105.6(3) . . . 2_756
O3 Mn1 Mn4 O15 -19.5(3) 3_776 . . 2_756
O17 Mn1 Mn4 O15 176.1(4) . . . 2_756
O13 Mn1 Mn4 O15 80.3(3) . . . 2_756
O10 Mn1 Mn4 O15 151.8(3) . . . 2_756
O1 Mn1 Mn4 O10 102.5(3) . . . .
O3 Mn1 Mn4 O10 -171.3(3) 3_776 . . .
O17 Mn1 Mn4 O10 24.2(4) . . . .
O13 Mn1 Mn4 O10 -71.5(3) . . . .
O15 Mn1 Mn4 O10 -151.8(3) 2_756 . . .
O1 Mn1 Mn4 O6 76.6(3) . . . .
O3 Mn1 Mn4 O6 162.7(3) 3_776 . . .
O17 Mn1 Mn4 O6 -1.7(4) . . . .
O13 Mn1 Mn4 O6 -97.5(3) . . . .
O10 Mn1 Mn4 O6 -26.0(3) . . . .
O15 Mn1 Mn4 O6 -177.8(3) 2_756 . . .
O1 Mn1 Mn4 O5 -59.6(5) . . . .
O3 Mn1 Mn4 O5 26.6(5) 3_776 . . .
O17 Mn1 Mn4 O5 -137.9(5) . . . .
O13 Mn1 Mn4 O5 126.4(4) . . . .
O10 Mn1 Mn4 O5 -162.1(5) . . . .
O15 Mn1 Mn4 O5 46.1(5) 2_756 . . .
O1 Mn1 Mn4 C7 24.3(9) . . . .
O3 Mn1 Mn4 C7 110.5(9) 3_776 . . .
O17 Mn1 Mn4 C7 -54.0(10) . . . .
O13 Mn1 Mn4 C7 -149.7(9) . . . .
O10 Mn1 Mn4 C7 -78.2(10) . . . .
O15 Mn1 Mn4 C7 130.0(10) 2_756 . . .
O3 Mn1 O1 C1 -130.9(8) 3_776 . . .
O17 Mn1 O1 C1 142.5(8) . . . .
O13 Mn1 O1 C1 40.1(19) . . . .
O10 Mn1 O1 C1 38.2(8) . . . .
O15 Mn1 O1 C1 -41.6(8) 2_756 . . .
Mn4 Mn1 O1 C1 -2.3(8) . . . .
O12 Mn4 O2 C1 151(100) 2_756 . . .
O15 Mn4 O2 C1 33.6(9) 2_756 . . .
O10 Mn4 O2 C1 -48.4(9) . . . .
O6 Mn4 O2 C1 -152.7(9) . . . .
O5 Mn4 O2 C1 149.8(9) . . . .
C7 Mn4 O2 C1 178.2(9) . . . .
Mn1 Mn4 O2 C1 -6.5(8) . . . .
O7 Mn3 O3 C6 102.3(5) 2_655 . . .
O14 Mn3 O3 C6 -169.8(5) 3_776 . . .
O11 Mn3 O3 C6 -26.2(10) 3_766 . . .
O16 Mn3 O3 C6 -83.4(5) 4_575 . . .
O4 Mn3 O3 C6 7.9(5) . . . .
Mn2 Mn3 O3 C6 172.4(4) 4_575 . . .
O7 Mn3 O3 Mn1 -103.4(3) 2_655 . . 3_776
O14 Mn3 O3 Mn1 -15.6(3) 3_776 . . 3_776
O11 Mn3 O3 Mn1 128.0(6) 3_766 . . 3_776
O16 Mn3 O3 Mn1 70.8(2) 4_575 . . 3_776
O4 Mn3 O3 Mn1 162.1(3) . . . 3_776
C6 Mn3 O3 Mn1 154.2(6) . . . 3_776
Mn2 Mn3 O3 Mn1 -33.4(5) 4_575 . . 3_776
O7 Mn3 O4 C6 -97.2(5) 2_655 . . .
O14 Mn3 O4 C6 3.5(15) 3_776 . . .
O11 Mn3 O4 C6 162.2(5) 3_766 . . .
O16 Mn3 O4 C6 74.9(5) 4_575 . . .
O3 Mn3 O4 C6 -7.9(5) . . . .
Mn2 Mn3 O4 C6 -174.7(4) 4_575 . . .
O12 Mn4 O5 C7 -88.2(6) 2_756 . . .
O2 Mn4 O5 C7 91.8(6) . . . .
O15 Mn4 O5 C7 -175.2(5) 2_756 . . .
O10 Mn4 O5 C7 12.5(11) . . . .
O6 Mn4 O5 C7 0.2(5) . . . .
Mn1 Mn4 O5 C7 151.7(5) . . . .
O8 Mn2 O6 C7 26.2(9) 3_666 . . .
O9 Mn2 O6 C7 -159.3(9) . . . .
O18 Mn2 O6 C7 116.1(9) . . . .
O14 Mn2 O6 C7 -57.4(17) 2_746 . . .
O11 Mn2 O6 C7 -62.4(9) 2_756 . . .
Mn3 Mn2 O6 C7 -43.8(9) 4_576 . . .
O8 Mn2 O6 Mn4 145.7(3) 3_666 . . .
O9 Mn2 O6 Mn4 -39.8(3) . . . .
O18 Mn2 O6 Mn4 -124.3(3) . . . .
O14 Mn2 O6 Mn4 62.1(13) 2_746 . . .
O11 Mn2 O6 Mn4 57.1(3) 2_756 . . .
Mn3 Mn2 O6 Mn4 75.7(3) 4_576 . . .
O12 Mn4 O6 C7 90.3(5) 2_756 . . .
O2 Mn4 O6 C7 -89.5(5) . . . .
O15 Mn4 O6 C7 33.2(18) 2_756 . . .
O10 Mn4 O6 C7 -176.2(5) . . . .
O5 Mn4 O6 C7 -0.2(5) . . . .
Mn1 Mn4 O6 C7 -158.4(5) . . . .
O12 Mn4 O6 Mn2 -56.3(3) 2_756 . . .
O2 Mn4 O6 Mn2 123.9(3) . . . .
O15 Mn4 O6 Mn2 -113.4(16) 2_756 . . .
O10 Mn4 O6 Mn2 37.2(3) . . . .
O5 Mn4 O6 Mn2 -146.8(4) . . . .
C7 Mn4 O6 Mn2 -146.6(6) . . . .
Mn1 Mn4 O6 Mn2 55.0(4) . . . .
O8 Mn2 O9 C13 170.6(16) 3_666 . . .
O6 Mn2 O9 C13 35.2(10) . . . .
O18 Mn2 O9 C13 120.7(10) . . . .
O14 Mn2 O9 C13 -135.2(10) 2_746 . . .
O11 Mn2 O9 C13 -56.9(10) 2_756 . . .
Mn3 Mn2 O9 C13 -97.7(10) 4_576 . . .
O12 Mn4 O10 C13 81.4(6) 2_756 . . .
O2 Mn4 O10 C13 -98.5(6) . . . .
O15 Mn4 O10 C13 168.4(6) 2_756 . . .
O6 Mn4 O10 C13 -7.9(6) . . . .
O5 Mn4 O10 C13 -18.6(11) . . . .
C7 Mn4 O10 C13 -10.5(7) . . . .
Mn1 Mn4 O10 C13 -172.7(7) . . . .
O12 Mn4 O10 Mn1 -105.9(2) 2_756 . . .
O2 Mn4 O10 Mn1 74.2(3) . . . .
O15 Mn4 O10 Mn1 -18.9(2) 2_756 . . .
O6 Mn4 O10 Mn1 164.8(2) . . . .
O5 Mn4 O10 Mn1 154.1(7) . . . .
C7 Mn4 O10 Mn1 162.2(3) . . . .
O1 Mn1 O10 C13 100.4(7) . . . .
O3 Mn1 O10 C13 -152.2(10) 3_776 . . .
O17 Mn1 O10 C13 5.7(8) . . . .
O13 Mn1 O10 C13 -79.3(7) . . . .
O15 Mn1 O10 C13 -170.3(7) 2_756 . . .
Mn4 Mn1 O10 C13 171.4(8) . . . .
O1 Mn1 O10 Mn4 -70.9(2) . . . .
O3 Mn1 O10 Mn4 36.4(11) 3_776 . . .
O17 Mn1 O10 Mn4 -165.6(2) . . . .
O13 Mn1 O10 Mn4 109.4(2) . . . .
O15 Mn1 O10 Mn4 18.4(2) 2_756 . . .
O1 Mn1 O13 C19 -102.2(16) . . . .
O3 Mn1 O13 C19 68.8(8) 3_776 . . .
O17 Mn1 O13 C19 154.7(8) . . . .
O10 Mn1 O13 C19 -100.3(8) . . . .
O15 Mn1 O13 C19 -20.7(8) 2_756 . . .
Mn4 Mn1 O13 C19 -61.0(8) . . . .
O1 Mn1 O17 C25 133.8(8) . . . .
O3 Mn1 O17 C25 37.8(8) 3_776 . . .
O13 Mn1 O17 C25 -54.8(8) . . . .
O10 Mn1 O17 C25 -137.9(8) . . . .
O15 Mn1 O17 C25 -1(3) 2_756 . . .
Mn4 Mn1 O17 C25 -154.3(7) . . . .
O8 Mn2 O18 C28 132.8(7) 3_666 . . .
O9 Mn2 O18 C28 -53.1(7) . . . .
O6 Mn2 O18 C28 39.6(7) . . . .
O14 Mn2 O18 C28 -141.5(7) 2_746 . . .
O11 Mn2 O18 C28 70(5) 2_756 . . .
Mn3 Mn2 O18 C28 -164.9(6) 4_576 . . .
Mn4 O2 C1 O1 7.4(15) . . . .
Mn4 O2 C1 C2 -172.2(7) . . . .
Mn1 O1 C1 O2 -1.5(15) . . . .
Mn1 O1 C1 C2 178.0(7) . . . .
O2 C1 C2 C3 88.7(14) . . . .
O1 C1 C2 C3 -90.9(13) . . . .
C1 C2 C3 C4 -52(2) . . . .
C2 C3 C4 C5 -173.1(13) . . . .
C3 C4 C5 C6 50(2) . . . .
Mn3 O4 C6 O3 14.1(9) . . . .
Mn3 O4 C6 C5 -161.7(10) . . . .
Mn1 O3 C6 O4 -137.3(9) 3_776 . . .
Mn3 O3 C6 O4 -13.8(8) . . . .
Mn1 O3 C6 C5 38.7(16) 3_776 . . .
Mn3 O3 C6 C5 162.2(9) . . . .
Mn1 O3 C6 Mn3 -123.5(11) 3_776 . . .
C4 C5 C6 O4 23.6(19) . . . .
C4 C5 C6 O3 -152.3(12) . . . .
C4 C5 C6 Mn3 -70(3) . . . .
O7 Mn3 C6 O4 86.0(5) 2_655 . . .
O14 Mn3 C6 O4 -179.0(4) 3_776 . . .
O11 Mn3 C6 O4 -24.3(7) 3_766 . . .
O16 Mn3 C6 O4 -101.8(5) 4_575 . . .
O3 Mn3 C6 O4 166.1(9) . . . .
Mn2 Mn3 C6 O4 43(3) 4_575 . . .
O7 Mn3 C6 O3 -80.1(5) 2_655 . . .
O14 Mn3 C6 O3 14.9(7) 3_776 . . .
O11 Mn3 C6 O3 169.5(4) 3_766 . . .
O16 Mn3 C6 O3 92.0(5) 4_575 . . .
O4 Mn3 C6 O3 -166.1(9) . . . .
Mn2 Mn3 C6 O3 -123(2) 4_575 . . .
O7 Mn3 C6 C5 -171(2) 2_655 . . .
O14 Mn3 C6 C5 -76(2) 3_776 . . .
O11 Mn3 C6 C5 79(2) 3_766 . . .
O16 Mn3 C6 C5 2(2) 4_575 . . .
O4 Mn3 C6 C5 103(2) . . . .
O3 Mn3 C6 C5 -91(2) . . . .
Mn2 Mn3 C6 C5 147(2) 4_575 . . .
Mn4 O5 C7 O6 -0.4(9) . . . .
Mn4 O5 C7 C8 -178.2(10) . . . .
Mn2 O6 C7 O5 125.2(9) . . . .
Mn4 O6 C7 O5 0.4(9) . . . .
Mn2 O6 C7 C8 -56.8(13) . . . .
Mn4 O6 C7 C8 178.3(8) . . . .
Mn2 O6 C7 Mn4 124.8(8) . . . .
O12 Mn4 C7 O5 91.4(6) 2_756 . . .
O2 Mn4 C7 O5 -88.5(6) . . . .
O15 Mn4 C7 O5 7.3(8) 2_756 . . .
O10 Mn4 C7 O5 -174.6(5) . . . .
O6 Mn4 C7 O5 -179.6(9) . . . .
Mn1 Mn4 C7 O5 -109.1(10) . . . .
O12 Mn4 C7 O6 -89.0(5) 2_756 . . .
O2 Mn4 C7 O6 91.1(5) . . . .
O15 Mn4 C7 O6 -173.0(4) 2_756 . . .
O10 Mn4 C7 O6 5.1(7) . . . .
O5 Mn4 C7 O6 179.6(9) . . . .
Mn1 Mn4 C7 O6 70.5(11) . . . .
O12 Mn4 C7 C8 -105(8) 2_756 . . .
O2 Mn4 C7 C8 75(8) . . . .
O15 Mn4 C7 C8 171(8) 2_756 . . .
O10 Mn4 C7 C8 -11(8) . . . .
O6 Mn4 C7 C8 -16(7) . . . .
O5 Mn4 C7 C8 164(8) . . . .
Mn1 Mn4 C7 C8 55(8) . . . .
O5 C7 C8 C9 53.2(16) . . . .
O6 C7 C8 C9 -124.7(12) . . . .
Mn4 C7 C8 C9 -110(7) . . . .
C7 C8 C9 C10 58.5(18) . . . .
C8 C9 C10 C11 67.8(18) . . . .
C9 C10 C11 C12 65.4(16) . . . .
Mn2 O9 C13 O10 -4.4(15) . . . .
Mn2 O9 C13 C14 178.1(7) . . . .
Mn4 O10 C13 O9 -12.4(11) . . . .
Mn1 O10 C13 O9 178.4(5) . . . .
Mn4 O10 C13 C14 165.3(6) . . . .
Mn1 O10 C13 C14 -4.0(11) . . . .
O9 C13 C14 C15 7.9(12) . . . .
O10 C13 C14 C15 -169.7(7) . . . .
C13 C14 C15 C16 -78.7(11) . . . .
C14 C15 C16 C17 -175.0(8) . . . .
C15 C16 C17 C18 178.5(8) . . . .
Mn4 O12 C18 O11 -2.9(16) 2_746 . . .
Mn4 O12 C18 C17 176.9(7) 2_746 . . .
Mn3 O11 C18 O12 168.6(6) 3_766 . . .
Mn2 O11 C18 O12 1.1(12) 2_746 . . .
Mn3 O11 C18 C17 -11.2(11) 3_766 . . .
Mn2 O11 C18 C17 -178.8(5) 2_746 . . .
C16 C17 C18 O12 12.2(12) . . . .
C16 C17 C18 O11 -167.9(7) . . . .
Mn1 O13 C19 O14 -41.5(12) . . . .
Mn1 O13 C19 C20 139.5(7) . . . .
Mn3 O14 C19 O13 -12.1(10) 3_776 . . .
Mn2 O14 C19 O13 -150.8(6) 2_756 . . .
Mn3 O14 C19 C20 167.0(5) 3_776 . . .
Mn2 O14 C19 C20 28.3(10) 2_756 . . .
O13 C19 C20 C21 -9.3(11) . . . .
O14 C19 C20 C21 171.7(7) . . . .
C19 C20 C21 C22 170.8(7) . . . .
C20 C21 C22 C23 174.8(7) . . . .
C21 C22 C23 C24 -77.5(11) . . . .
Mn1 O17 C25 N1 -179.7(10) . . . .
C26 N1 C25 O17 4(2) . . . .
C27 N1 C25 O17 172.6(14) . . . .
Mn2 O18 C28 N2 177.9(8) . . . .
C30 N2 C28 O18 177.9(10) . . . .
C29 N2 C28 O18 1.2(16) . . . .
Mn3 O7 C12 O8 5.3(13) 2_645 . . .
Mn3 O7 C12 C11 -174.0(6) 2_645 . . .
Mn2 O8 C12 O7 -18.4(15) 3_666 . . .
Mn2 O8 C12 C11 160.9(7) 3_666 . . .
C10 C11 C12 O7 98.3(12) . . . .
C10 C11 C12 O8 -81.1(13) . . . .
Mn3 O16 C24 O15 -14.0(11) 4_576 . . .
Mn3 O16 C24 C23 166.7(6) 4_576 . . .
Mn4 O15 C24 O16 169.1(5) 2_746 . . .
Mn1 O15 C24 O16 -18.6(11) 2_746 . . .
Mn4 O15 C24 C23 -11.6(10) 2_746 . . .
Mn1 O15 C24 C23 160.7(6) 2_746 . . .
C22 C23 C24 O16 8.2(12) . . . .
C22 C23 C24 O15 -171.2(7) . . . .
