#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:07:21 +0100 (jue 07 de nov de 2019) $
#$Revision: 224188 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/93/7049367.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_7049367
loop_
_publ_author_name
'Lee, Chien-Ming'
'Sankaralingam, Muniyandi'
'Chuo, Chi-He'
'Tseng, Tzu-Hsien'
'Chen, Peter P.-Y.'
'Chiang, Ming-Hsi'
'Li, Xiao-Xi'
'Lee, Yong-Min'
'Nam, Wonwoo'
_publ_section_title
;
 A Mn(iv)-peroxo complex in the reactions with proton donors.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5203
_journal_page_last               5213
_journal_paper_doi               10.1039/c9dt00649d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C51 H64 Mn O P2 S3 Si3'
_chemical_formula_weight         990.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-03-10 deposited with the CCDC.    2019-03-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.6307(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9507(4)
_cell_length_b                   19.2495(8)
_cell_length_c                   25.3023(11)
_cell_measurement_reflns_used    5180
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.83
_cell_measurement_theta_min      2.17
_cell_volume                     5242.1(4)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40144
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.892
_exptl_absorpt_coefficient_mu    0.536
_exptl_absorpt_correction_T_max  0.7643
_exptl_absorpt_correction_T_min  0.7021
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2092
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.220
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         12045
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0505P)²+2.3412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1145
_refine_ls_wR_factor_ref         0.1255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8849
_reflns_number_total             12045
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00649d2.cif
_cod_data_source_block           ic16640
_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 7049365--7049369.cif.
;
_cod_database_code               7049367
_shelx_shelxl_version_number     2018/3
_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   0.856
_shelx_estimated_absorpt_t_max   0.891
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Mn Mn 0.21605(4) 0.72907(2) 0.33758(2) 0.02381(11) Uani 1 1 d . .
S1 S 0.06287(7) 0.69689(4) 0.38921(3) 0.03052(17) Uani 1 1 d . .
S2 S 0.23906(7) 0.66511(4) 0.26008(3) 0.03509(18) Uani 1 1 d . .
S3 S 0.40658(7) 0.77373(4) 0.38954(3) 0.03176(17) Uani 1 1 d . .
P1 P 0.30054(6) 0.62940(4) 0.37739(3) 0.02174(15) Uani 1 1 d . .
P2 P 0.06495(7) 0.85218(4) 0.25648(3) 0.02898(17) Uani 1 1 d . .
Si1 Si -0.16755(7) 0.60783(4) 0.43217(3) 0.03073(19) Uani 1 1 d . .
Si2 Si 0.33503(10) 0.56615(5) 0.16667(4) 0.0467(2) Uani 1 1 d . .
Si3 Si 0.60440(8) 0.82542(4) 0.50132(3) 0.0359(2) Uani 1 1 d . .
O1 O 0.13818(18) 0.81195(10) 0.30265(8) 0.0344(5) Uani 1 1 d . .
C1 C 0.1801(2) 0.57182(13) 0.38931(10) 0.0229(5) Uani 1 1 d . .
C2 C 0.0733(2) 0.60590(14) 0.39875(10) 0.0246(6) Uani 1 1 d . .
C3 C -0.0234(2) 0.56725(14) 0.41465(10) 0.0270(6) Uani 1 1 d . .
C4 C -0.0087(3) 0.49532(15) 0.41747(11) 0.0304(6) Uani 1 1 d . .
H4 H -0.072329 0.468225 0.428257 0.036 Uiso 1 1 calc R U
C5 C 0.0942(3) 0.46146(15) 0.40530(11) 0.0307(6) Uani 1 1 d . .
H5 H 0.098676 0.412183 0.406310 0.037 Uiso 1 1 calc R U
C6 C 0.1903(3) 0.49992(14) 0.39169(11) 0.0279(6) Uani 1 1 d . .
H6 H 0.262322 0.477496 0.384060 0.033 Uiso 1 1 calc R U
C7 C -0.2571(3) 0.53603(16) 0.45694(12) 0.0358(7) Uani 1 1 d . .
H7A H -0.330189 0.555292 0.468937 0.054 Uiso 1 1 calc R U
H7B H -0.204236 0.512402 0.487074 0.054 Uiso 1 1 calc R U
H7C H -0.283758 0.502743 0.427789 0.054 Uiso 1 1 calc R U
C8 C -0.1229(3) 0.67117(16) 0.48794(13) 0.0399(7) Uani 1 1 d . .
H8A H -0.090666 0.713529 0.473958 0.060 Uiso 1 1 calc R U
H8B H -0.058537 0.650729 0.515651 0.060 Uiso 1 1 calc R U
H8C H -0.195844 0.682600 0.503575 0.060 Uiso 1 1 calc R U
C9 C -0.2642(3) 0.64945(17) 0.37246(13) 0.0422(8) Uani 1 1 d . .
H9A H -0.338883 0.669395 0.382623 0.063 Uiso 1 1 calc R U
H9B H -0.288320 0.614570 0.344256 0.063 Uiso 1 1 calc R U
H9C H -0.216275 0.686323 0.359027 0.063 Uiso 1 1 calc R U
C10 C 0.3865(2) 0.58375(14) 0.33446(11) 0.0250(6) Uani 1 1 d . .
C11 C 0.3450(3) 0.59723(15) 0.27973(11) 0.0283(6) Uani 1 1 d . .
C12 C 0.3905(3) 0.55572(15) 0.24128(12) 0.0339(7) Uani 1 1 d . .
C13 C 0.4776(3) 0.50548(17) 0.26103(13) 0.0419(8) Uani 1 1 d . .
H13 H 0.509345 0.477265 0.235871 0.050 Uiso 1 1 calc R U
C14 C 0.5209(3) 0.49399(17) 0.31485(13) 0.0409(8) Uani 1 1 d . .
H14 H 0.582307 0.459575 0.326171 0.049 Uiso 1 1 calc R U
C15 C 0.4738(3) 0.53324(15) 0.35235(12) 0.0316(6) Uani 1 1 d . .
H15 H 0.501062 0.525523 0.389751 0.038 Uiso 1 1 calc R U
C16 C 0.4048(4) 0.4957(2) 0.13148(15) 0.0659(11) Uani 1 1 d . .
H16A H 0.370360 0.497521 0.092901 0.099 Uiso 1 1 calc R U
H16B H 0.385595 0.450513 0.145880 0.099 Uiso 1 1 calc R U
H16C H 0.495082 0.501855 0.137136 0.099 Uiso 1 1 calc R U
C17 C 0.1630(4) 0.5557(3) 0.14918(16) 0.0753(13) Uani 1 1 d . .
H17A H 0.122986 0.590129 0.168914 0.113 Uiso 1 1 calc R U
H17B H 0.140087 0.508889 0.158984 0.113 Uiso 1 1 calc R U
H17C H 0.135483 0.562697 0.110442 0.113 Uiso 1 1 calc R U
C18 C 0.3885(4) 0.65118(19) 0.14493(14) 0.0582(10) Uani 1 1 d . .
H18A H 0.362961 0.655887 0.105888 0.087 Uiso 1 1 calc R U
H18B H 0.479272 0.653826 0.154547 0.087 Uiso 1 1 calc R U
H18C H 0.351544 0.688734 0.162876 0.087 Uiso 1 1 calc R U
C19 C 0.3962(2) 0.64966(14) 0.44103(10) 0.0231(5) Uani 1 1 d . .
C20 C 0.4463(2) 0.71677(13) 0.44485(10) 0.0237(6) Uani 1 1 d . .
C21 C 0.5276(2) 0.73729(14) 0.49253(10) 0.0268(6) Uani 1 1 d . .
C22 C 0.5498(3) 0.68896(15) 0.53415(11) 0.0310(6) Uani 1 1 d . .
H22 H 0.604284 0.701628 0.566423 0.037 Uiso 1 1 calc R U
C23 C 0.4969(3) 0.62363(15) 0.53106(11) 0.0312(6) Uani 1 1 d . .
H23 H 0.513279 0.592913 0.560917 0.037 Uiso 1 1 calc R U
C24 C 0.4201(2) 0.60351(14) 0.48403(10) 0.0264(6) Uani 1 1 d . .
H24 H 0.383768 0.558524 0.481041 0.032 Uiso 1 1 calc R U
C25 C 0.7026(3) 0.83974(18) 0.44970(13) 0.0464(8) Uani 1 1 d . .
H25A H 0.649945 0.840257 0.413895 0.070 Uiso 1 1 calc R U
H25B H 0.763658 0.802185 0.451641 0.070 Uiso 1 1 calc R U
H25C H 0.745870 0.884329 0.456357 0.070 Uiso 1 1 calc R U
C26 C 0.4869(4) 0.89559(18) 0.49832(16) 0.0567(10) Uani 1 1 d . .
H26A H 0.528970 0.939938 0.508110 0.085 Uiso 1 1 calc R U
H26B H 0.431310 0.885166 0.523516 0.085 Uiso 1 1 calc R U
H26C H 0.438410 0.898679 0.461748 0.085 Uiso 1 1 calc R U
C27 C 0.7069(4) 0.8270(2) 0.56923(13) 0.0571(10) Uani 1 1 d . .
H27A H 0.745239 0.873008 0.575659 0.086 Uiso 1 1 calc R U
H27B H 0.772007 0.791756 0.570753 0.086 Uiso 1 1 calc R U
H27C H 0.657237 0.817188 0.596842 0.086 Uiso 1 1 calc R U
C28 C 0.1007(2) 0.82739(15) 0.19259(11) 0.0285(6) Uani 1 1 d . .
C29 C 0.1844(3) 0.86571(16) 0.16970(13) 0.0373(7) Uani 1 1 d . .
H29 H 0.220763 0.906439 0.187120 0.045 Uiso 1 1 calc R U
C30 C 0.2155(3) 0.84481(17) 0.12142(13) 0.0401(8) Uani 1 1 d . .
H30 H 0.274565 0.871164 0.106753 0.048 Uiso 1 1 calc R U
C31 C 0.1639(3) 0.78770(18) 0.09440(12) 0.0390(8) Uani 1 1 d . .
C32 C 0.0800(3) 0.74926(18) 0.11722(12) 0.0436(8) Uani 1 1 d . .
H32 H 0.043239 0.708985 0.099254 0.052 Uiso 1 1 calc R U
C33 C 0.0490(3) 0.76857(16) 0.16582(12) 0.0380(7) Uani 1 1 d . .
H33 H -0.008208 0.741265 0.180898 0.046 Uiso 1 1 calc R U
C34 C 0.1986(3) 0.7667(2) 0.04154(13) 0.0543(10) Uani 1 1 d . .
H34A H 0.168088 0.801690 0.014148 0.081 Uiso 1 1 calc R U
H34B H 0.161110 0.721602 0.030299 0.081 Uiso 1 1 calc R U
H34C H 0.289224 0.763203 0.045910 0.081 Uiso 1 1 calc R U
C35 C -0.0984(3) 0.84072(15) 0.25310(11) 0.0310(6) Uani 1 1 d . .
C36 C -0.1840(3) 0.84759(17) 0.20538(12) 0.0381(7) Uani 1 1 d . .
H36 H -0.156147 0.858140 0.172902 0.046 Uiso 1 1 calc R U
C37 C -0.3096(3) 0.83912(17) 0.20507(12) 0.0396(7) Uani 1 1 d . .
H37 H -0.366750 0.844103 0.172146 0.047 Uiso 1 1 calc R U
C38 C -0.3541(3) 0.82362(15) 0.25132(13) 0.0363(7) Uani 1 1 d . .
C39 C -0.2686(3) 0.81795(16) 0.29857(12) 0.0393(8) Uani 1 1 d . .
H39 H -0.297171 0.808089 0.331003 0.047 Uiso 1 1 calc R U
C40 C -0.1424(3) 0.82617(16) 0.30015(12) 0.0369(7) Uani 1 1 d . .
H40 H -0.085841 0.821883 0.333302 0.044 Uiso 1 1 calc R U
C41 C -0.4903(3) 0.81116(19) 0.25049(16) 0.0516(9) Uani 1 1 d . .
H41A H -0.538522 0.826814 0.216024 0.077 Uiso 1 1 calc R U
H41B H -0.516263 0.837124 0.279843 0.077 Uiso 1 1 calc R U
H41C H -0.504591 0.761452 0.255056 0.077 Uiso 1 1 calc R U
C42 C 0.1025(3) 0.94206(15) 0.26562(11) 0.0313(6) Uani 1 1 d . .
C43 C 0.0304(3) 0.99258(17) 0.23609(13) 0.0467(9) Uani 1 1 d . .
H43 H -0.045021 0.979874 0.213126 0.056 Uiso 1 1 calc R U
C44 C 0.0667(3) 1.06108(17) 0.23963(13) 0.0478(9) Uani 1 1 d . .
H44 H 0.016347 1.094905 0.218628 0.057 Uiso 1 1 calc R U
C45 C 0.1738(3) 1.08151(16) 0.27274(12) 0.0404(8) Uani 1 1 d . .
C46 C 0.2440(4) 1.03175(18) 0.30315(17) 0.0612(11) Uani 1 1 d . .
H46 H 0.317909 1.045106 0.326897 0.073 Uiso 1 1 calc R U
C47 C 0.2095(3) 0.96266(18) 0.29995(15) 0.0543(10) Uani 1 1 d . .
H47 H 0.259555 0.929149 0.321448 0.065 Uiso 1 1 calc R U
C48 C 0.2147(4) 1.15618(17) 0.27509(15) 0.0573(10) Uani 1 1 d . .
H48A H 0.158693 1.183056 0.247954 0.086 Uiso 1 1 calc R U
H48B H 0.299569 1.159084 0.267972 0.086 Uiso 1 1 calc R U
H48C H 0.212637 1.175053 0.310885 0.086 Uiso 1 1 calc R U
C49 C 0.0043(5) 0.9672(2) 0.4852(2) 0.108(2) Uani 1 1 d D .
H49A H -0.066973 0.965272 0.454831 0.129 Uiso 1 1 calc R U
H49B H -0.005002 0.928104 0.509558 0.129 Uiso 1 1 calc R U
C50 C 0.1196(6) 0.9559(4) 0.4636(3) 0.164(3) Uani 1 1 d D .
H50A H 0.134057 0.996695 0.441655 0.196 Uiso 1 1 calc R U
H50B H 0.190748 0.952365 0.493908 0.196 Uiso 1 1 calc R U
C51 C 0.1151(7) 0.8936(4) 0.4307(3) 0.149(3) Uani 1 1 d D .
H51A H 0.085302 0.854498 0.449599 0.224 Uiso 1 1 calc R U
H51B H 0.198454 0.883229 0.423906 0.224 Uiso 1 1 calc R U
H51C H 0.058447 0.901170 0.396376 0.224 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
S S 0.1246 0.1234 '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
O1 Mn P1 177.77(7) .
O1 Mn S2 98.92(6) .
P1 Mn S2 80.33(3) .
O1 Mn S1 99.67(6) .
P1 Mn S1 79.00(3) .
S2 Mn S1 120.70(3) .
O1 Mn S3 102.61(6) .
P1 Mn S3 79.60(3) .
S2 Mn S3 115.06(3) .
S1 Mn S3 114.74(3) .
C2 S1 Mn 107.28(9) .
C11 S2 Mn 108.54(9) .
C20 S3 Mn 105.80(9) .
C1 P1 C10 106.50(12) .
C1 P1 C19 108.02(12) .
C10 P1 C19 111.44(12) .
C1 P1 Mn 110.09(9) .
C10 P1 Mn 111.10(9) .
C19 P1 Mn 109.60(9) .
O1 P2 C42 108.76(13) .
O1 P2 C35 111.04(12) .
C42 P2 C35 109.30(14) .
O1 P2 C28 112.88(12) .
C42 P2 C28 106.92(13) .
C35 P2 C28 107.82(13) .
C9 Si1 C8 111.38(16) .
C9 Si1 C7 109.65(14) .
C8 Si1 C7 108.13(14) .
C9 Si1 C3 111.29(14) .
C8 Si1 C3 109.59(13) .
C7 Si1 C3 106.63(13) .
C18 Si2 C16 108.73(18) .
C18 Si2 C17 112.6(2) .
C16 Si2 C17 107.1(2) .
C18 Si2 C12 109.26(15) .
C16 Si2 C12 108.45(16) .
C17 Si2 C12 110.58(17) .
C26 Si3 C25 110.46(17) .
C26 Si3 C27 108.61(18) .
C25 Si3 C27 108.41(17) .
C26 Si3 C21 111.00(15) .
C25 Si3 C21 110.68(14) .
C27 Si3 C21 107.57(14) .
P2 O1 Mn 154.48(13) .
C6 C1 C2 121.5(2) .
C6 C1 P1 124.7(2) .
C2 C1 P1 113.79(19) .
C1 C2 C3 119.7(2) .
C1 C2 S1 118.4(2) .
C3 C2 S1 121.8(2) .
C4 C3 C2 116.8(2) .
C4 C3 Si1 119.6(2) .
C2 C3 Si1 123.6(2) .
C5 C4 C3 123.2(3) .
C6 C5 C4 119.5(3) .
C5 C6 C1 119.1(3) .
C15 C10 C11 122.3(3) .
C15 C10 P1 123.8(2) .
C11 C10 P1 113.4(2) .
C10 C11 C12 118.9(3) .
C10 C11 S2 119.6(2) .
C12 C11 S2 121.5(2) .
C13 C12 C11 116.8(3) .
C13 C12 Si2 120.6(2) .
C11 C12 Si2 122.5(2) .
C14 C13 C12 123.9(3) .
C13 C14 C15 119.2(3) .
C10 C15 C14 118.9(3) .
C24 C19 C20 121.4(2) .
C24 C19 P1 123.9(2) .
C20 C19 P1 114.77(19) .
C19 C20 C21 119.5(2) .
C19 C20 S3 118.8(2) .
C21 C20 S3 121.7(2) .
C22 C21 C20 116.9(2) .
C22 C21 Si3 120.0(2) .
C20 C21 Si3 123.2(2) .
C23 C22 C21 123.6(3) .
C24 C23 C22 119.2(3) .
C23 C24 C19 119.5(3) .
C29 C28 C33 118.2(3) .
C29 C28 P2 120.4(2) .
C33 C28 P2 121.3(2) .
C28 C29 C30 120.2(3) .
C31 C30 C29 122.0(3) .
C30 C31 C32 117.9(3) .
C30 C31 C34 120.8(3) .
C32 C31 C34 121.3(3) .
C33 C32 C31 121.1(3) .
C28 C33 C32 120.5(3) .
C36 C35 C40 118.5(3) .
C36 C35 P2 122.5(2) .
C40 C35 P2 119.0(2) .
C37 C36 C35 120.2(3) .
C38 C37 C36 121.8(3) .
C39 C38 C37 117.5(3) .
C39 C38 C41 120.8(3) .
C37 C38 C41 121.7(3) .
C38 C39 C40 122.0(3) .
C39 C40 C35 119.9(3) .
C47 C42 C43 118.1(3) .
C47 C42 P2 120.6(2) .
C43 C42 P2 121.2(2) .
C44 C43 C42 120.7(3) .
C45 C44 C43 121.4(3) .
C44 C45 C46 118.1(3) .
C44 C45 C48 121.0(3) .
C46 C45 C48 120.9(3) .
C45 C46 C47 121.4(3) .
C46 C47 C42 120.3(3) .
C49 C49 C50 116.8(7) 3_576
C51 C50 C49 113.0(6) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn O1 1.9432(19) .
Mn P1 2.2819(8) .
Mn S2 2.3679(8) .
Mn S1 2.3902(8) .
Mn S3 2.4102(8) .
S1 C2 1.769(3) .
S2 C11 1.757(3) .
S3 C20 1.768(3) .
P1 C1 1.790(3) .
P1 C10 1.793(3) .
P1 C19 1.794(3) .
P2 O1 1.5039(19) .
P2 C42 1.784(3) .
P2 C35 1.789(3) .
P2 C28 1.797(3) .
Si1 C9 1.858(3) .
Si1 C8 1.861(3) .
Si1 C7 1.868(3) .
Si1 C3 1.885(3) .
Si2 C18 1.856(4) .
Si2 C16 1.862(4) .
Si2 C17 1.865(4) .
Si2 C12 1.884(3) .
Si3 C26 1.857(4) .
Si3 C25 1.859(3) .
Si3 C27 1.872(3) .
Si3 C21 1.888(3) .
C1 C6 1.389(4) .
C1 C2 1.399(4) .
C2 C3 1.412(4) .
C3 C4 1.394(4) .
C4 C5 1.385(4) .
C5 C6 1.381(4) .
C10 C15 1.380(4) .
C10 C11 1.400(4) .
C11 C12 1.419(4) .
C12 C13 1.385(4) .
C13 C14 1.375(4) .
C14 C15 1.385(4) .
C19 C24 1.392(4) .
C19 C20 1.400(4) .
C20 C21 1.417(4) .
C21 C22 1.393(4) .
C22 C23 1.381(4) .
C23 C24 1.380(4) .
C28 C29 1.385(4) .
C28 C33 1.385(4) .
C29 C30 1.387(4) .
C30 C31 1.361(5) .
C31 C32 1.386(4) .
C31 C34 1.511(4) .
C32 C33 1.386(4) .
C35 C36 1.392(4) .
C35 C40 1.392(4) .
C36 C37 1.383(4) .
C37 C38 1.381(4) .
C38 C39 1.380(4) .
C38 C41 1.507(4) .
C39 C40 1.384(4) .
C42 C47 1.382(4) .
C42 C43 1.382(4) .
C43 C44 1.375(5) .
C44 C45 1.367(5) .
C45 C46 1.372(5) .
C45 C48 1.504(4) .
C46 C47 1.381(5) .
C49 C49 1.479(7) 3_576
C49 C50 1.483(7) .
C50 C51 1.455(7) .
