#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:01:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179436 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/33/4333336.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333336
loop_
_publ_author_name
'Hiraga, Hiroki'
'Miyasaka, Hitoshi'
'Nakata, Kazuya'
'Kajiwara, Takashi'
'Takaishi, Shinya'
'Oshima, Yugo'
'Nojiri, Hiroyuki'
'Yamashita, Masahiro'
_publ_section_title
;
 Hybrid Molecular Material Exhibiting Single-Molecule Magnet Behavior and
 Molecular Conductivity
;
_journal_issue                   23
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9661
_journal_page_last               9671
_journal_paper_doi               10.1021/ic700727n
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C88 H42 Mn4 N32 O6 Pt6 S24'
_chemical_formula_weight         3803.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.777(2)
_cell_angle_beta                 103.169(2)
_cell_angle_gamma                104.008(2)
_cell_formula_units_Z            1
_cell_length_a                   10.7098(9)
_cell_length_b                   13.1750(11)
_cell_length_c                   21.1269(18)
_cell_measurement_temperature    100(2)
_cell_volume                     2722.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0600
_diffrn_reflns_av_sigmaI/netI    0.1754
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27421
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.02
_exptl_absorpt_coefficient_mu    8.651
_exptl_absorpt_correction_T_max  0.9185
_exptl_absorpt_correction_T_min  0.2765
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1794
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.306
_refine_diff_density_min         -1.080
_refine_diff_density_rms         0.309
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         12422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.100
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0180P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                6645
_reflns_number_total             12422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700727nsup2.cif
_cod_data_source_block           data
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_database_code               4333336
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 1.06052(13) 0.46278(10) 0.87102(6) 0.0162(4) Uani 1 1 d . . .
Mn2 Mn 0.97172(13) 0.37308(10) 0.99532(6) 0.0146(4) Uani 1 1 d . . 1
O1 O 1.1134(5) 0.4866(4) 0.9854(3) 0.0146(16) Uani 1 1 d . . 1
O2 O 1.0208(5) 0.4095(4) 1.0891(3) 0.0143(16) Uani 1 1 d . . 1
O3 O 0.9142(5) 0.3408(4) 0.9020(3) 0.0186(17) Uani 1 1 d . . 1
C1 C 1.3788(8) 0.5696(7) 0.8866(4) 0.022(3) Uani 1 1 d . . 1
H1 H 1.3474 0.5501 0.8388 0.026 Uiso 1 1 calc R . 1
C2 C 1.5081(9) 0.6315(7) 0.9158(5) 0.026(3) Uani 1 1 d . . 1
H2 H 1.5640 0.6550 0.8891 0.031 Uiso 1 1 calc R . 1
C3 C 1.5578(9) 0.6599(7) 0.9856(4) 0.027(3) Uani 1 1 d . . 1
H3 H 1.6473 0.7044 1.0078 0.032 Uiso 1 1 calc R . 1
C4 C 1.4729(8) 0.6213(7) 1.0210(5) 0.027(3) Uani 1 1 d . . 1
H4 H 1.5041 0.6379 1.0687 0.033 Uiso 1 1 calc R . 1
C5 C 1.3417(8) 0.5584(7) 0.9879(4) 0.020(3) Uani 1 1 d . . 1
C6 C 1.2480(8) 0.5101(7) 1.0245(4) 0.022(3) Uani 1 1 d . . 1
H5 H 1.2647 0.4449 1.0331 0.027 Uiso 1 1 calc R . 1
H6 H 1.2632 0.5599 1.0669 0.027 Uiso 1 1 calc R . 1
C7 C 1.0835(9) 0.1644(6) 0.9737(4) 0.021(3) Uani 1 1 d . A 1
H7 H 1.0430 0.1514 0.9268 0.025 Uiso 1 1 calc R A 1
C8 C 1.1465(8) 0.0929(7) 0.9953(4) 0.025(3) Uani 1 1 d . A 1
H8 H 1.1515 0.0331 0.9640 0.030 Uiso 1 1 calc R A 1
C9 C 1.2018(9) 0.1096(7) 1.0626(4) 0.025(3) Uani 1 1 d . A 1
H9 H 1.2473 0.0620 1.0789 0.030 Uiso 1 1 calc R A 1
C10 C 1.1911(9) 0.1955(7) 1.1063(4) 0.024(3) Uani 1 1 d . A 1
H10 H 1.2272 0.2071 1.1534 0.029 Uiso 1 1 calc R A 1
C11 C 1.1275(8) 0.2653(6) 1.0815(4) 0.012(2) Uani 1 1 d . A 1
C12 C 1.1116(9) 0.3624(7) 1.1244(4) 0.021(3) Uani 1 1 d . A 1
H11 H 1.0804 0.3421 1.1607 0.025 Uiso 1 1 calc R A 1
H12 H 1.1979 0.4158 1.1437 0.025 Uiso 1 1 calc R A 1
C13 C 0.7430(8) 0.2267(6) 1.0283(4) 0.021(3) Uani 1 1 d . . 1
H13 H 0.7935 0.2563 1.0742 0.025 Uiso 1 1 calc R . 1
C14 C 0.6204(9) 0.1527(7) 1.0127(5) 0.025(3) Uani 1 1 d . . 1
H14 H 0.5851 0.1327 1.0475 0.031 Uiso 1 1 calc R . 1
C15 C 0.5480(9) 0.1071(6) 0.9469(5) 0.026(3) Uani 1 1 d . . 1
H15 H 0.4621 0.0555 0.9355 0.031 Uiso 1 1 calc R . 1
C16 C 0.6014(9) 0.1371(7) 0.8976(5) 0.026(3) Uani 1 1 d . . 1
H16 H 0.5538 0.1046 0.8515 0.031 Uiso 1 1 calc R . 1
C17 C 0.7257(9) 0.2157(6) 0.9155(4) 0.019(3) Uani 1 1 d . . 1
C18 C 0.7939(9) 0.2590(7) 0.8680(4) 0.024(3) Uani 1 1 d . . 1
H17 H 0.8122 0.2013 0.8400 0.028 Uiso 1 1 calc R . 1
H18 H 0.7353 0.2872 0.8394 0.028 Uiso 1 1 calc R . 1
C19 C 0.9561(9) 0.8613(7) 0.3849(4) 0.021(3) Uani 1 1 d . . .
C20 C 0.9767(8) 0.8005(7) 0.4370(4) 0.014(2) Uani 1 1 d . . .
C21 C 0.9332(8) 0.6922(7) 0.4199(4) 0.015(2) Uani 1 1 d . . .
C22 C 0.8642(8) 0.6294(6) 0.3492(4) 0.018(2) Uani 1 1 d . . .
C23 C 1.1217(9) 0.6369(7) 0.7672(4) 0.020(3) Uani 1 1 d . . .
C24 C 1.1209(8) 0.6959(6) 0.7152(4) 0.016(2) Uani 1 1 d . . .
C25 C 1.1657(8) 0.8077(7) 0.7320(4) 0.017(2) Uani 1 1 d . . .
C26 C 1.2132(8) 0.8699(7) 0.8016(4) 0.021(3) Uani 1 1 d . . .
C27 C 0.5497(9) 0.3445(6) 0.2908(4) 0.022(3) Uani 1 1 d . . .
C28 C 0.5664(8) 0.2915(7) 0.3456(4) 0.019(2) Uani 1 1 d . . .
C29 C 0.5218(8) 0.1775(7) 0.3288(4) 0.016(2) Uani 1 1 d . . .
C30 C 0.4584(9) 0.1203(7) 0.2583(4) 0.022(3) Uani 1 1 d . . .
C31 C 0.7593(9) 0.1320(7) 0.6766(4) 0.019(3) Uani 1 1 d . . .
C32 C 0.7397(8) 0.1897(7) 0.6246(4) 0.016(2) Uani 1 1 d . . .
C33 C 0.7825(8) 0.3006(6) 0.6412(4) 0.015(2) Uani 1 1 d . . .
C34 C 0.8485(8) 0.3590(6) 0.7120(4) 0.014(2) Uani 1 1 d . . .
C35 C 0.2483(8) 0.3717(7) 0.3254(4) 0.018(3) Uani 1 1 d . . .
C36 C 0.2685(8) 0.3124(7) 0.3765(4) 0.019(3) Uani 1 1 d . . .
C37 C 0.2216(8) 0.2030(7) 0.3588(4) 0.016(2) Uani 1 1 d . . .
C38 C 0.1525(8) 0.1420(7) 0.2906(4) 0.017(2) Uani 1 1 d . . .
C39 C 0.5199(8) 0.3745(7) 0.7439(4) 0.018(2) Uani 1 1 d . . .
C40 C 0.4615(8) 0.3171(7) 0.6731(4) 0.018(3) Uani 1 1 d . . .
C41 C 0.4164(8) 0.2058(7) 0.6551(4) 0.019(3) Uani 1 1 d . . .
C42 C 0.4227(8) 0.1446(7) 0.7052(4) 0.021(3) Uani 1 1 d . . .
N1 N 1.2912(7) 0.5337(5) 0.9203(3) 0.020(2) Uani 1 1 d . . 1
N2 N 1.0760(7) 0.2520(5) 1.0154(3) 0.017(2) Uani 1 1 d . A 1
N3 N 0.7951(7) 0.2594(5) 0.9806(3) 0.0143(19) Uani 1 1 d . . 1
Pt1 Pt 1.06172(4) 0.74846(3) 0.575050(18) 0.01521(9) Uani 1 1 d . . .
Pt2 Pt 0.65039(4) 0.24057(3) 0.485293(18) 0.01443(9) Uani 1 1 d . . .
Pt3 Pt 0.35139(4) 0.26077(3) 0.515305(18) 0.01513(9) Uani 1 1 d . . .
S1 S 1.0580(2) 0.62043(18) 0.63316(11) 0.0184(6) Uani 1 1 d . . .
S2 S 1.1593(2) 0.87914(18) 0.67219(12) 0.0213(7) Uani 1 1 d . . .
S3 S 0.9580(2) 0.61816(18) 0.47849(11) 0.0190(6) Uani 1 1 d . . .
S4 S 1.0568(2) 0.87585(18) 0.51725(11) 0.0205(7) Uani 1 1 d . . .
S5 S 0.6424(2) 0.36807(18) 0.42636(11) 0.0178(6) Uani 1 1 d . . .
S6 S 0.5386(2) 0.10799(18) 0.38937(11) 0.0182(6) Uani 1 1 d . . .
S7 S 0.7590(2) 0.37293(17) 0.58170(11) 0.0165(6) Uani 1 1 d . . .
S8 S 0.6603(2) 0.11242(18) 0.54325(11) 0.0182(6) Uani 1 1 d . . .
S9 S 0.3516(2) 0.38843(18) 0.45704(11) 0.0181(6) Uani 1 1 d . . .
S10 S 0.2461(2) 0.12941(18) 0.41850(11) 0.0199(7) Uani 1 1 d . . .
S11 S 0.4521(2) 0.39154(18) 0.61354(11) 0.0178(6) Uani 1 1 d . . .
S12 S 0.3457(2) 0.13132(19) 0.57232(11) 0.0202(7) Uani 1 1 d . . .
C43 C 1.1471(9) 0.2383(8) 0.8256(4) 0.025(3) Uani 1 1 d . . 1
C44 C 1.1757(10) 0.1351(7) 0.8155(5) 0.042(3) Uani 1 1 d . . 1
H19 H 1.2389 0.1336 0.8555 0.062 Uiso 1 1 calc R . 1
H20 H 1.2130 0.1259 0.7784 0.062 Uiso 1 1 calc R . 1
H21 H 1.0941 0.0775 0.8061 0.062 Uiso 1 1 calc R . 1
N4 N 1.1177(7) 0.5892(6) 0.8057(3) 0.021(2) Uani 1 1 d . . .
N5 N 1.2491(8) 0.9195(6) 0.8564(4) 0.036(3) Uani 1 1 d . . .
N6 N 0.8131(8) 0.5857(6) 0.2941(4) 0.028(2) Uani 1 1 d . . .
N7 N 0.9414(8) 0.9047(6) 0.3439(4) 0.037(3) Uani 1 1 d . . .
N8 N 0.5354(8) 0.3841(6) 0.2481(4) 0.031(2) Uani 1 1 d . . .
N9 N 0.4120(8) 0.0802(6) 0.2037(4) 0.037(3) Uani 1 1 d . . .
N10 N 0.7771(8) 0.0905(6) 0.7186(4) 0.033(3) Uani 1 1 d . . .
N11 N 0.8978(7) 0.3974(5) 0.7676(3) 0.020(2) Uani 1 1 d . . .
N12 N 0.2314(8) 0.4174(6) 0.2849(4) 0.025(2) Uani 1 1 d . . .
N13 N 0.0926(8) 0.1006(6) 0.2352(4) 0.031(3) Uani 1 1 d . . .
N14 N 0.5648(8) 0.4099(6) 0.7991(4) 0.033(3) Uani 1 1 d . . .
N15 N 0.4243(8) 0.0973(6) 0.7444(4) 0.030(3) Uani 1 1 d . . .
N16 N 1.1206(7) 0.3152(6) 0.8345(4) 0.025(2) Uani 1 1 d . . 1
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'
Pt Pt -1.7033 8.3905 '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'
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
O2 Mn1 N16 171.5(3) 2_767 .
O2 Mn1 O3 90.1(2) 2_767 .
N16 Mn1 O3 81.4(3) . .
O2 Mn1 O1 73.1(2) 2_767 .
N16 Mn1 O1 103.7(2) . .
O3 Mn1 O1 67.38(18) . .
O2 Mn1 N11 95.9(2) 2_767 .
N16 Mn1 N11 82.8(3) . .
O3 Mn1 N11 83.4(2) . .
O1 Mn1 N11 148.3(2) . .
O2 Mn1 N1 104.2(2) 2_767 .
N16 Mn1 N1 81.4(3) . .
O3 Mn1 N1 127.1(2) . .
O1 Mn1 N1 68.9(2) . .
N11 Mn1 N1 142.5(3) . .
O2 Mn1 N4 79.2(2) 2_767 .
N16 Mn1 N4 108.3(3) . .
O3 Mn1 N4 153.5(2) . .
O1 Mn1 N4 130.2(2) . .
N11 Mn1 N4 73.8(2) . .
N1 Mn1 N4 79.3(2) . .
O3 Mn2 O2 176.4(3) . .
O3 Mn2 O1 83.5(2) . .
O2 Mn2 O1 97.3(2) . .
O3 Mn2 N3 82.0(3) . .
O2 Mn2 N3 96.7(3) . .
O1 Mn2 N3 163.8(3) . .
O3 Mn2 N2 103.6(3) . .
O2 Mn2 N2 79.7(3) . .
O1 Mn2 N2 101.8(3) . .
N3 Mn2 N2 88.6(3) . .
O3 Mn2 O1 96.6(2) . 2_767
O2 Mn2 O1 80.1(2) . 2_767
O1 Mn2 O1 80.5(2) . 2_767
N3 Mn2 O1 94.0(2) . 2_767
N2 Mn2 O1 159.8(2) . 2_767
O3 Mn2 Mn2 90.73(18) . 2_767
O2 Mn2 Mn2 87.48(18) . 2_767
O1 Mn2 Mn2 44.02(17) . 2_767
N3 Mn2 Mn2 128.9(2) . 2_767
N2 Mn2 Mn2 141.68(18) . 2_767
O1 Mn2 Mn2 36.49(14) 2_767 2_767
C6 O1 Mn2 120.9(5) . .
C6 O1 Mn2 113.1(5) . 2_767
Mn2 O1 Mn2 99.5(2) . 2_767
C6 O1 Mn1 120.9(5) . .
Mn2 O1 Mn1 102.6(2) . .
Mn2 O1 Mn1 95.0(2) 2_767 .
C12 O2 Mn2 119.2(5) . .
C12 O2 Mn1 129.0(5) . 2_767
Mn2 O2 Mn1 111.5(3) . 2_767
C18 O3 Mn2 118.6(5) . .
C18 O3 Mn1 134.7(5) . .
Mn2 O3 Mn1 106.5(2) . .
N1 C1 C2 124.8(8) . .
C1 C2 C3 119.0(9) . .
C4 C3 C2 117.5(8) . .
C3 C4 C5 120.6(9) . .
N1 C5 C4 122.3(9) . .
N1 C5 C6 115.5(7) . .
C4 C5 C6 122.2(8) . .
O1 C6 C5 109.9(7) . .
N2 C7 C8 123.4(8) . .
C9 C8 C7 118.5(9) . .
C8 C9 C10 119.3(9) . .
C9 C10 C11 119.5(8) . .
N2 C11 C10 122.0(8) . .
N2 C11 C12 113.9(7) . .
C10 C11 C12 124.1(7) . .
O2 C12 C11 113.7(6) . .
N3 C13 C14 122.0(8) . .
C13 C14 C15 119.8(9) . .
C14 C15 C16 119.0(8) . .
C15 C16 C17 119.6(8) . .
N3 C17 C16 120.3(9) . .
N3 C17 C18 114.0(7) . .
C16 C17 C18 125.8(8) . .
O3 C18 C17 111.6(7) . .
N7 C19 C20 177.6(10) . .
C21 C20 C19 120.2(7) . .
C21 C20 S4 123.4(7) . .
C19 C20 S4 116.4(6) . .
C20 C21 C22 121.7(8) . .
C20 C21 S3 121.8(6) . .
C22 C21 S3 116.4(6) . .
N6 C22 C21 176.7(10) . .
N4 C23 C24 177.5(9) . .
C25 C24 C23 120.9(7) . .
C25 C24 S1 122.1(7) . .
C23 C24 S1 117.0(6) . .
C24 C25 C26 121.2(8) . .
C24 C25 S2 121.9(6) . .
C26 C25 S2 116.8(6) . .
N5 C26 C25 179.0(11) . .
N8 C27 C28 179.1(9) . .
C29 C28 C27 117.6(7) . .
C29 C28 S5 122.7(7) . .
C27 C28 S5 119.6(6) . .
C28 C29 C30 118.1(8) . .
C28 C29 S6 121.2(6) . .
C30 C29 S6 120.7(6) . .
N9 C30 C29 177.3(10) . .
N10 C31 C32 177.6(9) . .
C33 C32 C31 120.1(7) . .
C33 C32 S8 122.9(7) . .
C31 C32 S8 117.0(6) . .
C32 C33 C34 118.7(8) . .
C32 C33 S7 121.9(6) . .
C34 C33 S7 119.3(6) . .
N11 C34 C33 175.3(9) . .
N12 C35 C36 179.3(9) . .
C37 C36 C35 119.7(7) . .
C37 C36 S9 123.9(7) . .
C35 C36 S9 116.4(6) . .
C36 C37 C38 122.3(8) . .
C36 C37 S10 120.9(6) . .
C38 C37 S10 116.8(6) . .
N13 C38 C37 173.9(10) . .
N14 C39 C40 173.9(10) . .
C41 C40 C39 119.6(8) . .
C41 C40 S11 121.6(6) . .
C39 C40 S11 118.8(6) . .
C40 C41 C42 121.2(8) . .
C40 C41 S12 122.6(7) . .
C42 C41 S12 116.2(6) . .
N15 C42 C41 178.1(10) . .
C5 N1 C1 115.7(7) . .
C5 N1 Mn1 119.9(6) . .
C1 N1 Mn1 123.4(5) . .
C11 N2 C7 117.1(8) . .
C11 N2 Mn2 111.6(6) . .
C7 N2 Mn2 130.9(6) . .
C17 N3 C13 119.3(7) . .
C17 N3 Mn2 113.7(6) . .
C13 N3 Mn2 127.0(5) . .
S3 Pt1 S4 89.86(8) . .
S3 Pt1 S2 178.22(10) . .
S4 Pt1 S2 90.11(8) . .
S3 Pt1 S1 89.91(8) . .
S4 Pt1 S1 177.68(10) . .
S2 Pt1 S1 90.05(8) . .
S6 Pt2 S7 179.07(9) . .
S6 Pt2 S8 89.57(8) . .
S7 Pt2 S8 90.29(8) . .
S6 Pt2 S5 90.08(8) . .
S7 Pt2 S5 90.08(8) . .
S8 Pt2 S5 179.14(10) . .
S12 Pt3 S9 178.60(8) . .
S12 Pt3 S10 89.05(8) . .
S9 Pt3 S10 90.07(8) . .
S12 Pt3 S11 90.30(8) . .
S9 Pt3 S11 90.55(8) . .
S10 Pt3 S11 178.44(9) . .
C24 S1 Pt1 102.7(3) . .
C25 S2 Pt1 103.1(3) . .
C21 S3 Pt1 102.4(3) . .
C20 S4 Pt1 102.5(3) . .
C28 S5 Pt2 102.6(3) . .
C29 S6 Pt2 103.3(3) . .
C33 S7 Pt2 102.7(3) . .
C32 S8 Pt2 102.2(3) . .
C36 S9 Pt3 102.3(3) . .
C37 S10 Pt3 102.7(3) . .
C40 S11 Pt3 102.6(3) . .
C41 S12 Pt3 102.8(3) . .
N16 C43 C44 176.8(11) . .
C23 N4 Mn1 167.0(6) . .
C34 N11 Mn1 160.4(8) . .
C43 N16 Mn1 168.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 2.195(6) 2_767
Mn1 N16 2.250(8) .
Mn1 O3 2.261(6) .
Mn1 O1 2.295(5) .
Mn1 N11 2.322(7) .
Mn1 N1 2.325(7) .
Mn1 N4 2.408(8) .
Mn2 O3 1.858(5) .
Mn2 O2 1.865(5) .
Mn2 O1 1.936(5) .
Mn2 N3 2.026(7) .
Mn2 N2 2.207(8) .
Mn2 O1 2.262(6) 2_767
Mn2 Mn2 3.211(3) 2_767
O1 C6 1.415(9) .
O1 Mn2 2.262(6) 2_767
O2 C12 1.421(10) .
O2 Mn1 2.195(6) 2_767
O3 C18 1.398(9) .
C1 N1 1.353(11) .
C1 C2 1.357(11) .
C2 C3 1.390(12) .
C3 C4 1.369(13) .
C4 C5 1.386(11) .
C5 N1 1.352(10) .
C5 C6 1.495(12) .
C7 N2 1.346(11) .
C7 C8 1.371(12) .
C8 C9 1.363(12) .
C9 C10 1.366(12) .
C10 C11 1.381(12) .
C11 N2 1.340(10) .
C11 C12 1.494(11) .
C13 N3 1.347(11) .
C13 C14 1.359(11) .
C14 C15 1.366(12) .
C15 C16 1.373(13) .
C16 C17 1.395(11) .
C17 N3 1.346(10) .
C17 C18 1.487(13) .
C19 N7 1.126(12) .
C19 C20 1.487(13) .
C20 C21 1.338(11) .
C20 S4 1.700(8) .
C21 C22 1.484(11) .
C21 S3 1.727(9) .
C22 N6 1.137(10) .
C23 N4 1.120(11) .
C23 C24 1.459(12) .
C24 C25 1.382(11) .
C24 S1 1.717(8) .
C25 C26 1.448(11) .
C25 S2 1.711(9) .
C26 N5 1.145(11) .
C27 N8 1.123(11) .
C27 C28 1.459(13) .
C28 C29 1.409(11) .
C28 S5 1.708(8) .
C29 C30 1.456(11) .
C29 S6 1.710(9) .
C30 N9 1.113(10) .
C31 N10 1.131(11) .
C31 C32 1.453(12) .
C32 C33 1.371(11) .
C32 S8 1.725(8) .
C33 C34 1.466(11) .
C33 S7 1.724(9) .
C34 N11 1.131(10) .
C35 N12 1.141(11) .
C35 C36 1.453(13) .
C36 C37 1.354(11) .
C36 S9 1.713(8) .
C37 C38 1.436(11) .
C37 S10 1.740(9) .
C38 N13 1.154(10) .
C39 N14 1.114(11) .
C39 C40 1.456(11) .
C40 C41 1.376(12) .
C40 S11 1.735(9) .
C41 C42 1.447(13) .
C41 S12 1.728(8) .
C42 N15 1.124(12) .
Pt1 S3 2.253(2) .
Pt1 S4 2.256(3) .
Pt1 S2 2.258(2) .
Pt1 S1 2.262(2) .
Pt2 S6 2.269(2) .
Pt2 S7 2.270(2) .
Pt2 S8 2.272(2) .
Pt2 S5 2.277(2) .
Pt3 S12 2.262(3) .
Pt3 S9 2.262(2) .
Pt3 S10 2.265(2) .
Pt3 S11 2.276(2) .
C43 N16 1.111(12) .
C43 C44 1.453(13) .
