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#$Date: 2021-12-02 11:22:39 +0200 (Thu, 02 Dec 2021) $
#$Revision: 270982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565486.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_1565486
loop_
_publ_author_name
'Qian, Zhe'
'Zhang, Ying'
'Jia, Ai-Quan'
'Shi, Hua-Tian'
'Zhang, Qian-Feng'
_publ_section_title
;
 Syntheses, molecular structures, and spectroscopic properties of
 manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and
 bi-pyridine or salicylaldehyde ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119298
_journal_paper_doi               10.1016/j.ica.2019.119298
_journal_volume                  502
_journal_year                    2020
_chemical_formula_sum            'C74 H88 Br4 Mn4 N2 O20 P4'
_chemical_formula_weight         1988.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                99.48(3)
_cell_angle_beta                 98.95(3)
_cell_angle_gamma                104.57(3)
_cell_formula_units_Z            1
_cell_length_a                   10.76(2)
_cell_length_b                   12.12(2)
_cell_length_c                   17.66(3)
_cell_measurement_reflns_used    737
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      17.64
_cell_measurement_theta_min      2.34
_cell_volume                     2151(6)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.3398
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12781
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.279
_diffrn_reflns_theta_min         2.344
_exptl_absorpt_coefficient_mu    2.571
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       flake
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       0.0069(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.873
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         9245
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.873
_refine_ls_R_factor_all          0.2799
_refine_ls_R_factor_gt           0.0776
_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)+(0.1000P)²+0.8860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1740
_refine_ls_wR_factor_ref         0.2606
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2832
_reflns_number_total             9245
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            5.cif
_cod_data_source_block           p-1jia
_cod_original_cell_volume        2152(7)
_cod_database_code               1565486
_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. 
;
_shelx_estimated_absorpt_t_min   0.627
_shelx_estimated_absorpt_t_max   0.748
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.88489(15) -0.03342(14) 0.13015(8) 0.0479(5) Uani 1 1 d . . . . .
Mn2 Mn 1.13470(14) 0.07332(14) 0.06067(8) 0.0461(5) Uani 1 1 d . . . . .
Br1 Br 1.53052(14) 0.36517(14) 0.09252(8) 0.1015(6) Uani 1 1 d . . . . .
Br2 Br 1.47342(16) 0.51626(13) 0.40359(7) 0.0983(6) Uani 1 1 d . . . . .
P1 P 0.9916(3) -0.0834(3) 0.30456(15) 0.0530(8) Uani 1 1 d . . . . .
P2 P 0.7631(3) -0.0014(3) 0.28542(15) 0.0558(9) Uani 1 1 d . . . . .
O1 O 1.2490(7) 0.2258(6) 0.0744(4) 0.063(2) Uani 1 1 d . . . . .
O2 O 1.0099(6) -0.0789(6) 0.2205(4) 0.055(2) Uani 1 1 d . . . . .
O3 O 0.7836(6) 0.0346(6) 0.2090(4) 0.056(2) Uani 1 1 d . . . . .
O4 O 0.7511(8) -0.2143(7) 0.0872(4) 0.071(2) Uani 1 1 d D . . . .
H4S H 0.720(8) -0.235(8) 0.0388(12) 0.05(3) Uiso 1 1 d D . . . .
O5 O 1.0068(6) -0.0787(6) 0.0463(3) 0.0421(17) Uani 1 1 d . . . . .
O6 O 1.2174(6) 0.0143(6) -0.0171(3) 0.0488(18) Uani 1 1 d . . . . .
O7 O 1.2464(7) 0.0243(7) 0.1660(4) 0.059(2) Uani 1 1 d . . . . .
H7S H 1.184(9) -0.008(8) 0.199(5) 0.05(3) Uiso 1 1 d . . . . .
O8 O 1.0112(8) 0.3140(7) 0.1484(5) 0.070(2) Uani 1 1 d . . . . .
O9 O 1.0380(6) 0.1270(6) 0.1330(3) 0.0445(18) Uani 1 1 d . . . . .
N1 N 0.8713(8) -0.0468(8) 0.3295(5) 0.059(3) Uani 1 1 d . . . . .
C1 C 1.0701(11) 0.2349(12) 0.1812(6) 0.064(4) Uani 1 1 d . . . . .
H1 H 1.0396 0.2253 0.2298 0.077 Uiso 1 1 calc R U . . .
C2 C 0.8724(11) 0.2832(12) 0.1440(8) 0.087(4) Uani 1 1 d . . . . .
H2A H 0.8339 0.2033 0.1169 0.131 Uiso 1 1 calc R U . . .
H2B H 0.8352 0.3327 0.1161 0.131 Uiso 1 1 calc R U . . .
H2C H 0.8551 0.2928 0.1960 0.131 Uiso 1 1 calc R U . . .
C3 C 1.2142(11) 0.2992(10) 0.2027(6) 0.060(3) Uani 1 1 d . . . . .
C4 C 1.2690(13) 0.3706(9) 0.2787(6) 0.067(4) Uani 1 1 d . . . . .
H4 H 1.2180 0.3748 0.3164 0.081 Uiso 1 1 calc R U . . .
C5 C 1.3990(13) 0.4334(10) 0.2952(7) 0.069(4) Uani 1 1 d . . . . .
C6 C 1.4783(11) 0.4365(10) 0.2394(7) 0.068(4) Uani 1 1 d . . . . .
H6 H 1.5644 0.4838 0.2515 0.081 Uiso 1 1 calc R U . . .
C7 C 1.4260(12) 0.3694(10) 0.1686(6) 0.063(3) Uani 1 1 d . . . . .
C8 C 1.2936(11) 0.2961(9) 0.1466(6) 0.056(3) Uani 1 1 d . . . . .
C9 C 1.3482(11) 0.0096(11) -0.0022(6) 0.072(4) Uani 1 1 d . . . . .
H9A H 1.4043 0.0839 0.0273 0.108 Uiso 1 1 calc R U . . .
H9B H 1.3747 -0.0091 -0.0511 0.108 Uiso 1 1 calc R U . . .
H9C H 1.3549 -0.0494 0.0272 0.108 Uiso 1 1 calc R U . . .
C10 C 1.3689(11) 0.0813(12) 0.2175(7) 0.084(4) Uani 1 1 d . . . . .
H10A H 1.4294 0.1197 0.1890 0.126 Uiso 1 1 calc R U . . .
H10B H 1.4026 0.0249 0.2397 0.126 Uiso 1 1 calc R U . . .
H10C H 1.3576 0.1379 0.2588 0.126 Uiso 1 1 calc R U . . .
C11 C 0.7228(14) -0.3166(10) 0.1182(7) 0.095(5) Uani 1 1 d . . . . .
H11A H 0.7648 -0.3706 0.0948 0.143 Uiso 1 1 calc R U . . .
H11B H 0.6297 -0.3519 0.1068 0.143 Uiso 1 1 calc R U . . .
H11C H 0.7548 -0.2964 0.1740 0.143 Uiso 1 1 calc R U . . .
C12 C 1.0466(11) -0.1845(11) 0.0445(6) 0.064(3) Uani 1 1 d . . . . .
H12A H 0.9759 -0.2499 0.0145 0.097 Uiso 1 1 calc R U . . .
H12B H 1.0685 -0.1952 0.0971 0.097 Uiso 1 1 calc R U . . .
H12C H 1.1217 -0.1784 0.0208 0.097 Uiso 1 1 calc R U . . .
C13 C 0.9780(10) -0.2288(10) 0.3184(6) 0.049(3) Uani 1 1 d . . . . .
C14 C 1.0266(12) -0.3043(13) 0.2734(7) 0.074(4) Uani 1 1 d . . . . .
H14 H 1.0683 -0.2786 0.2346 0.089 Uiso 1 1 calc R U . . .
C15 C 1.0168(16) -0.4168(14) 0.2829(10) 0.103(5) Uani 1 1 d . . . . .
H15 H 1.0530 -0.4655 0.2525 0.124 Uiso 1 1 calc R U . . .
C16 C 0.9511(17) -0.4539(15) 0.3393(11) 0.108(6) Uani 1 1 d . . . . .
H16 H 0.9444 -0.5286 0.3481 0.129 Uiso 1 1 calc R U . . .
C17 C 0.8965(19) -0.3836(17) 0.3817(11) 0.119(6) Uani 1 1 d . . . . .
H17 H 0.8502 -0.4104 0.4185 0.143 Uiso 1 1 calc R U . . .
C18 C 0.9095(14) -0.2734(13) 0.3706(8) 0.087(4) Uani 1 1 d . . . . .
H18 H 0.8701 -0.2264 0.3998 0.104 Uiso 1 1 calc R U . . .
C19 C 0.6066(12) -0.1088(11) 0.2642(7) 0.068(4) Uani 1 1 d . . . . .
C20 C 0.5312(14) -0.1457(15) 0.1922(9) 0.111(5) Uani 1 1 d . . . . .
H20 H 0.5599 -0.1136 0.1515 0.133 Uiso 1 1 calc R U . . .
C21 C 0.4109(16) -0.2308(18) 0.1764(13) 0.141(7) Uani 1 1 d . . . . .
H21 H 0.3592 -0.2520 0.1261 0.169 Uiso 1 1 calc R U . . .
C22 C 0.3683(17) -0.2828(16) 0.2332(16) 0.128(8) Uani 1 1 d . . . . .
H22 H 0.2912 -0.3437 0.2218 0.153 Uiso 1 1 calc R U . . .
C23 C 0.440(2) -0.2444(16) 0.3068(14) 0.127(7) Uani 1 1 d . . . . .
H23 H 0.4086 -0.2750 0.3474 0.153 Uiso 1 1 calc R U . . .
C24 C 0.5575(13) -0.1619(13) 0.3228(8) 0.092(5) Uani 1 1 d . . . . .
H24 H 0.6069 -0.1398 0.3737 0.110 Uiso 1 1 calc R U . . .
C25 C 0.7502(10) 0.1231(10) 0.3532(6) 0.053(3) Uani 1 1 d . . . . .
C26 C 0.7890(11) 0.1419(13) 0.4334(7) 0.075(4) Uani 1 1 d . . . . .
H26 H 0.8271 0.0896 0.4541 0.091 Uiso 1 1 calc R U . . .
C27 C 0.7741(13) 0.2358(15) 0.4851(8) 0.089(5) Uani 1 1 d . . . . .
H27 H 0.7977 0.2444 0.5392 0.106 Uiso 1 1 calc R U . . .
C28 C 0.7233(13) 0.3144(12) 0.4531(8) 0.077(4) Uani 1 1 d . . . . .
H28 H 0.7154 0.3799 0.4857 0.093 Uiso 1 1 calc R U . . .
C29 C 0.6835(12) 0.2972(13) 0.3728(8) 0.076(4) Uani 1 1 d . . . . .
H29 H 0.6467 0.3498 0.3515 0.092 Uiso 1 1 calc R U . . .
C30 C 0.6986(11) 0.2010(13) 0.3237(7) 0.068(4) Uani 1 1 d . . . . .
H30 H 0.6726 0.1905 0.2696 0.081 Uiso 1 1 calc R U . . .
C31 C 1.1392(11) 0.0102(12) 0.3707(6) 0.055(3) Uani 1 1 d . . . . .
C32 C 1.1464(14) 0.1218(12) 0.4111(8) 0.082(4) Uani 1 1 d . . . . .
H32 H 1.0714 0.1468 0.4103 0.099 Uiso 1 1 calc R U . . .
C33 C 1.2671(18) 0.1941(15) 0.4522(8) 0.111(6) Uani 1 1 d . . . . .
H33 H 1.2726 0.2702 0.4756 0.133 Uiso 1 1 calc R U . . .
C34 C 1.3765(19) 0.1600(19) 0.4600(9) 0.116(8) Uani 1 1 d . . . . .
H34 H 1.4545 0.2087 0.4920 0.139 Uiso 1 1 calc R U . . .
C35 C 1.3710(13) 0.0592(16) 0.4226(8) 0.093(5) Uani 1 1 d . . . . .
H35 H 1.4491 0.0391 0.4246 0.112 Uiso 1 1 calc R U . . .
C36 C 1.2533(14) -0.0259(12) 0.3773(7) 0.078(4) Uani 1 1 d . . . . .
H36 H 1.2530 -0.1005 0.3538 0.094 Uiso 1 1 calc R U . . .
O1S O 0.159(2) 0.5290(16) 0.0225(12) 0.251(11) Uani 1 1 d . . . . .
C1S C 0.078(4) 0.528(3) 0.067(2) 0.262(19) 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'
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
O3 Mn1 O2 93.1(3) . .
O3 Mn1 O9 99.2(3) . .
O2 Mn1 O9 91.6(3) . .
O3 Mn1 O6 102.3(3) . 2_755
O2 Mn1 O6 164.4(3) . 2_755
O9 Mn1 O6 88.4(2) . 2_755
O3 Mn1 O5 171.6(3) . .
O2 Mn1 O5 89.2(3) . .
O9 Mn1 O5 72.6(3) . .
O6 Mn1 O5 75.9(3) 2_755 .
O3 Mn1 O4 100.0(3) . .
O2 Mn1 O4 94.5(3) . .
O9 Mn1 O4 159.5(3) . .
O6 Mn1 O4 80.6(3) 2_755 .
O5 Mn1 O4 87.9(3) . .
O3 Mn1 Mn2 134.8(2) . .
O2 Mn1 Mn2 89.8(2) . .
O9 Mn1 Mn2 35.60(17) . .
O6 Mn1 Mn2 81.1(2) 2_755 .
O5 Mn1 Mn2 37.04(18) . .
O4 Mn1 Mn2 124.8(2) . .
O6 Mn2 O1 91.2(3) . .
O6 Mn2 O9 175.3(3) . .
O1 Mn2 O9 91.7(3) . .
O6 Mn2 O5 91.6(3) . .
O1 Mn2 O5 176.0(3) . .
O9 Mn2 O5 85.4(3) . .
O6 Mn2 O5 81.5(3) . 2_755
O1 Mn2 O5 97.1(3) . 2_755
O9 Mn2 O5 94.5(3) . 2_755
O5 Mn2 O5 80.4(3) . 2_755
O6 Mn2 O7 98.2(3) . .
O1 Mn2 O7 96.4(3) . .
O9 Mn2 O7 85.1(3) . .
O5 Mn2 O7 86.1(3) . .
O5 Mn2 O7 166.5(2) 2_755 .
O6 Mn2 Mn1 134.7(2) . .
O1 Mn2 Mn1 133.9(2) . .
O9 Mn2 Mn1 42.2(2) . .
O5 Mn2 Mn1 43.1(2) . .
O5 Mn2 Mn1 87.4(2) 2_755 .
O7 Mn2 Mn1 83.2(2) . .
O6 Mn2 Mn2 85.0(2) . 2_755
O1 Mn2 Mn2 133.8(2) . 2_755
O9 Mn2 Mn2 90.3(2) . 2_755
O5 Mn2 Mn2 43.66(19) . 2_755
O5 Mn2 Mn2 36.72(17) 2_755 2_755
O7 Mn2 Mn2 129.8(2) . 2_755
Mn1 Mn2 Mn2 61.70(14) . 2_755
O2 P1 N1 117.1(4) . .
O2 P1 C13 108.5(5) . .
N1 P1 C13 108.0(5) . .
O2 P1 C31 107.6(4) . .
N1 P1 C31 108.2(6) . .
C13 P1 C31 106.9(5) . .
O3 P2 N1 117.4(4) . .
O3 P2 C19 106.7(5) . .
N1 P2 C19 110.5(6) . .
O3 P2 C25 108.7(5) . .
N1 P2 C25 106.5(5) . .
C19 P2 C25 106.6(5) . .
C8 O1 Mn2 120.5(6) . .
P1 O2 Mn1 127.4(4) . .
P2 O3 Mn1 126.5(4) . .
H4S O4 C11 107(6) . .
H4S O4 Mn1 117(6) . .
C11 O4 Mn1 135.3(7) . .
C12 O5 Mn2 121.6(6) . .
C12 O5 Mn1 119.6(5) . .
Mn2 O5 Mn1 99.8(3) . .
C12 O5 Mn2 116.4(6) . 2_755
Mn2 O5 Mn2 99.6(3) . 2_755
Mn1 O5 Mn2 94.7(3) . 2_755
C9 O6 Mn2 123.9(6) . .
C9 O6 Mn1 123.9(5) . 2_755
Mn2 O6 Mn1 106.8(3) . 2_755
C10 O7 Mn2 132.1(7) . .
C1 O8 C2 112.2(9) . .
C1 O9 Mn2 127.0(6) . .
C1 O9 Mn1 130.2(6) . .
Mn2 O9 Mn1 102.2(3) . .
P2 N1 P1 132.4(5) . .
O9 C1 O8 113.4(9) . .
O9 C1 C3 115.4(10) . .
O8 C1 C3 103.9(10) . .
C8 C3 C4 119.3(11) . .
C8 C3 C1 120.8(9) . .
C4 C3 C1 119.8(10) . .
C5 C4 C3 118.5(12) . .
C4 C5 C6 123.3(11) . .
C4 C5 Br2 116.6(9) . .
C6 C5 Br2 120.1(9) . .
C7 C6 C5 117.6(10) . .
C6 C7 C8 123.4(10) . .
C6 C7 Br1 119.3(9) . .
C8 C7 Br1 117.3(8) . .
O1 C8 C3 122.2(9) . .
O1 C8 C7 120.0(9) . .
C3 C8 C7 117.8(9) . .
C18 C13 C14 116.1(11) . .
C18 C13 P1 121.6(10) . .
C14 C13 P1 122.2(9) . .
C13 C14 C15 123.2(13) . .
C16 C15 C14 117.3(15) . .
C17 C16 C15 120.9(16) . .
C16 C17 C18 119.6(17) . .
C17 C18 C13 122.8(15) . .
C20 C19 C24 115.9(13) . .
C20 C19 P2 122.6(10) . .
C24 C19 P2 121.5(10) . .
C19 C20 C21 121.9(16) . .
C22 C21 C20 120.8(19) . .
C23 C22 C21 118.4(18) . .
C22 C23 C24 121.0(17) . .
C23 C24 C19 121.7(15) . .
C30 C25 C26 118.0(12) . .
C30 C25 P2 118.3(9) . .
C26 C25 P2 123.8(10) . .
C25 C26 C27 123.2(13) . .
C28 C27 C26 117.3(13) . .
C27 C28 C29 120.4(13) . .
C28 C29 C30 120.0(12) . .
C25 C30 C29 121.0(11) . .
C36 C31 C32 118.5(12) . .
C36 C31 P1 119.1(11) . .
C32 C31 P1 122.2(10) . .
C33 C32 C31 118.7(15) . .
C34 C33 C32 123.2(18) . .
C35 C34 C33 118.2(18) . .
C34 C35 C36 125.0(17) . .
C31 C36 C35 116.0(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.086(7) .
Mn1 O2 2.158(7) .
Mn1 O9 2.198(7) .
Mn1 O6 2.203(7) 2_755
Mn1 O5 2.217(7) .
Mn1 O4 2.231(8) .
Mn1 Mn2 3.195(5) .
Mn2 O6 1.888(7) .
Mn2 O1 1.898(7) .
Mn2 O9 1.902(7) .
Mn2 O5 1.953(7) .
Mn2 O5 2.256(7) 2_755
Mn2 O7 2.299(7) .
Mn2 Mn2 3.221(5) 2_755
Br1 C7 1.884(11) .
Br2 C5 1.949(12) .
P1 O2 1.535(7) .
P1 N1 1.572(9) .
P1 C13 1.791(12) .
P1 C31 1.804(12) .
P2 O3 1.516(7) .
P2 N1 1.565(9) .
P2 C19 1.792(13) .
P2 C25 1.814(12) .
O1 C8 1.353(11) .
O4 H4S 0.839(10) .
O4 C11 1.419(13) .
O5 C12 1.447(12) .
O5 Mn2 2.256(7) 2_755
O6 C9 1.409(11) .
O6 Mn1 2.203(7) 2_755
O7 C10 1.416(12) .
O8 C1 1.425(13) .
O8 C2 1.432(12) .
O9 C1 1.366(13) .
C1 C3 1.505(15) .
C3 C8 1.407(14) .
C3 C4 1.418(14) .
C4 C5 1.374(15) .
C5 C6 1.400(16) .
C6 C7 1.325(14) .
C7 C8 1.432(14) .
C13 C18 1.364(15) .
C13 C14 1.369(15) .
C14 C15 1.380(17) .
C15 C16 1.38(2) .
C16 C17 1.35(2) .
C17 C18 1.357(19) .
C19 C20 1.335(17) .
C19 C24 1.408(14) .
C20 C21 1.39(2) .
C21 C22 1.35(2) .
C22 C23 1.35(2) .
C23 C24 1.36(2) .
C25 C30 1.344(15) .
C25 C26 1.376(14) .
C26 C27 1.396(17) .
C27 C28 1.367(18) .
C28 C29 1.381(17) .
C29 C30 1.395(16) .
C31 C36 1.398(16) .
C31 C32 1.399(16) .
C32 C33 1.381(18) .
C33 C34 1.34(2) .
C34 C35 1.27(2) .
C35 C36 1.436(17) .
O1S C1S 1.27(3) .
