# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1552695'
_audit_update_record             
;
2017-08-22 deposited with the CCDC.
2017-09-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H64 Cl2 Fe2 N8 O16 Pt2'
_chemical_formula_weight         1293.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.271(3)
_cell_length_b                   12.820(3)
_cell_length_c                   18.976(5)
_cell_angle_alpha                74.524(15)
_cell_angle_beta                 79.375(16)
_cell_angle_gamma                69.606(13)
_cell_volume                     2683.0(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6631
_cell_measurement_theta_min      2.0558
_cell_measurement_theta_max      30.7573

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_F_000             1268
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    5.884
_shelx_estimated_absorpt_T_min   0.386
_shelx_estimated_absorpt_T_max   0.591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3855
_exptl_absorpt_correction_T_max  0.5905
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 14.6199
_diffrn_reflns_number            21054
_diffrn_reflns_av_unetI/netI     0.1134
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.122
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.241
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             12135
_reflns_number_gt                6769
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       CRYSTALCLEAR
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_reduction        CRYSTALCLEAR
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material  
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0602P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12135
_refine_ls_number_parameters     505
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_gt           0.0621
_refine_ls_wR_factor_ref         0.1706
_refine_ls_wR_factor_gt          0.1461
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_restrained_S_all      0.958
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Pt1 Pt 0.27930(4) 0.36608(3) 0.44912(2) 0.05367(14) Uani 1 1 d . . . . .
Pt2 Pt 0.50580(4) 0.73152(3) 0.07935(2) 0.05545(14) Uani 1 1 d . . . . .
Fe1 Fe 0.03609(13) 0.36594(12) 0.51143(7) 0.0493(4) Uani 1 1 d . . . . .
Fe2 Fe 0.38590(13) 0.96838(12) -0.00038(8) 0.0524(4) Uani 1 1 d . . . . .
O4 O -0.0210(6) 0.5125(5) 0.4379(3) 0.0479(16) Uani 1 1 d . . . . .
O3 O -0.1046(6) 0.3388(6) 0.5485(4) 0.0574(19) Uani 1 1 d . . . . .
O8 O 0.4613(6) 1.0234(6) 0.0594(3) 0.0559(18) Uani 1 1 d . . . . .
N3 N 0.2596(8) 0.2668(7) 0.3910(4) 0.058(2) Uani 1 1 d . . . . .
H10 H 0.316527 0.243211 0.359181 0.069 Uiso 1 1 calc R U . . .
N1 N 0.2991(7) 0.4707(7) 0.5069(4) 0.058(2) Uani 1 1 d . . . . .
H21 H 0.232498 0.527255 0.510658 0.086 Uiso 1 1 calc R U . . .
H22 H 0.355735 0.499442 0.483686 0.086 Uiso 1 1 calc R U . . .
H23 H 0.317747 0.430926 0.551676 0.086 Uiso 1 1 calc R U . . .
O6 O 0.2695(7) 0.9372(6) 0.0799(4) 0.071(2) Uani 1 1 d . . . . .
O7 O 0.2873(7) 1.1093(6) -0.0459(4) 0.067(2) Uani 1 1 d . . . . .
O1 O 0.0750(6) 0.2713(6) 0.4399(4) 0.063(2) Uani 1 1 d . . . . .
O5 O 0.3633(8) 0.8737(6) -0.0592(4) 0.072(2) Uani 1 1 d . . . . .
O2 O 0.1325(7) 0.2461(6) 0.5840(4) 0.077(2) Uani 1 1 d . . . . .
N4 N 0.3164(8) 0.2338(8) 0.5343(5) 0.068(3) Uani 1 1 d . . . . .
H20 H 0.389404 0.198549 0.538828 0.081 Uiso 1 1 calc R U . . .
N2 N 0.2442(8) 0.5007(7) 0.3619(4) 0.060(2) Uani 1 1 d . . . . .
H24 H 0.221157 0.481228 0.326823 0.090 Uiso 1 1 calc R U . . .
H25 H 0.308272 0.520660 0.344578 0.090 Uiso 1 1 calc R U . . .
H26 H 0.187692 0.559258 0.376034 0.090 Uiso 1 1 calc R U . . .
N5 N 0.5783(9) 0.7655(9) 0.1529(5) 0.077(3) Uani 1 1 d . . . . .
H53 H 0.630127 0.701811 0.174296 0.116 Uiso 1 1 calc R U . . .
H54 H 0.523054 0.792979 0.186860 0.116 Uiso 1 1 calc R U . . .
H55 H 0.614123 0.816927 0.130429 0.116 Uiso 1 1 calc R U . . .
N7 N 0.4342(10) 0.6968(9) 0.0066(5) 0.083(3) Uani 1 1 d . . . . .
H42 H 0.445575 0.625599 0.009956 0.099 Uiso 1 1 calc R U . . .
N8 N 0.3535(9) 0.7616(8) 0.1423(5) 0.067(3) Uani 1 1 d . . . . .
H52 H 0.346798 0.709376 0.180565 0.080 Uiso 1 1 calc R U . . .
C19 C 0.1466(9) 0.8624(11) 0.1767(6) 0.064(3) Uani 1 1 d . . . . .
C18 C 0.2651(10) 0.8512(10) 0.1309(5) 0.056(3) Uani 1 1 d . . . . .
Cl1 Cl 0.4841(4) 0.6618(5) 0.3512(2) 0.1266(19) Uani 1 1 d . . . . .
N6 N 0.6616(9) 0.6998(8) 0.0170(5) 0.083(3) Uani 1 1 d . . . . .
H56 H 0.713920 0.640204 0.041576 0.124 Uiso 1 1 calc R U . . .
H57 H 0.685623 0.760670 0.006455 0.124 Uiso 1 1 calc R U . . .
H58 H 0.653680 0.684478 -0.024540 0.124 Uiso 1 1 calc R U . . .
C6 C 0.2455(11) 0.1954(10) 0.5826(7) 0.072(3) Uani 1 1 d . . . . .
C24 C 0.4160(12) 1.0560(12) 0.1271(6) 0.085(4) Uani 1 1 d . . . . .
H62 H 0.362586 1.015527 0.152900 0.128 Uiso 1 1 calc R U . . .
H63 H 0.375716 1.136576 0.118214 0.128 Uiso 1 1 calc R U . . .
H64 H 0.478951 1.038047 0.156283 0.128 Uiso 1 1 calc R U . . .
C1 C 0.1700(11) 0.2346(9) 0.3966(6) 0.062(3) Uani 1 1 d . . . . .
C2 C 0.1641(12) 0.1499(11) 0.3542(8) 0.084(4) Uani 1 1 d . . . . .
C7 C 0.2826(11) 0.0920(10) 0.6448(7) 0.074(4) Uani 1 1 d . . . . .
C13 C 0.3725(11) 0.7668(10) -0.0454(6) 0.067(3) Uani 1 1 d . . . . .
C20 C 0.1511(13) 0.7558(13) 0.2413(7) 0.109(6) Uani 1 1 d . . . . .
H43 H 0.205655 0.748747 0.273933 0.164 Uiso 1 1 calc R U . . .
H44 H 0.074897 0.764846 0.267689 0.164 Uiso 1 1 calc R U . . .
H45 H 0.175456 0.688436 0.221787 0.164 Uiso 1 1 calc R U . . .
C10 C 0.2536(14) 0.1339(14) 0.7152(8) 0.115(6) Uani 1 1 d . . . . .
H17 H 0.177397 0.189759 0.715390 0.173 Uiso 1 1 calc R U . . .
H18 H 0.310464 0.167672 0.718788 0.173 Uiso 1 1 calc R U . . .
H19 H 0.254624 0.070891 0.756349 0.173 Uiso 1 1 calc R U . . .
C4 C 0.0551(18) 0.2092(16) 0.3074(10) 0.157(8) Uani 1 1 d . . . . .
H4 H 0.031314 0.151728 0.296688 0.235 Uiso 1 1 calc R U . . .
H5 H 0.076527 0.256535 0.262248 0.235 Uiso 1 1 calc R U . . .
H6 H -0.008332 0.255212 0.334941 0.235 Uiso 1 1 calc R U . . .
C9 C 0.2175(17) 0.0123(13) 0.6471(10) 0.148(8) Uani 1 1 d . . . . .
H14 H 0.137682 0.055042 0.638681 0.221 Uiso 1 1 calc R U . . .
H15 H 0.219961 -0.039204 0.694361 0.221 Uiso 1 1 calc R U . . .
H16 H 0.252823 -0.030433 0.609611 0.221 Uiso 1 1 calc R U . . .
C3 C 0.2757(15) 0.1132(14) 0.3031(8) 0.118(6) Uani 1 1 d . . . . .
H1 H 0.342544 0.098707 0.328056 0.177 Uiso 1 1 calc R U . . .
H2 H 0.274950 0.172764 0.259812 0.177 Uiso 1 1 calc R U . . .
H3 H 0.279637 0.044983 0.289396 0.177 Uiso 1 1 calc R U . . .
C12 C -0.0516(11) 0.5247(10) 0.3670(5) 0.070(3) Uani 1 1 d . . . . .
H30 H -0.134360 0.540113 0.369234 0.105 Uiso 1 1 calc R U . . .
H31 H -0.011170 0.455593 0.350071 0.105 Uiso 1 1 calc R U . . .
H32 H -0.029925 0.586832 0.333604 0.105 Uiso 1 1 calc R U . . .
C11 C -0.1227(11) 0.2308(10) 0.5581(7) 0.080(4) Uani 1 1 d . . . . .
H27 H -0.121262 0.215991 0.510901 0.120 Uiso 1 1 calc R U . . .
H28 H -0.197138 0.232711 0.585580 0.120 Uiso 1 1 calc R U . . .
H29 H -0.061918 0.171513 0.584326 0.120 Uiso 1 1 calc R U . . .
O9 O 0.6074(9) 0.6356(11) 0.3351(6) 0.126(4) Uani 1 1 d . . . . .
C23 C 0.1739(13) 1.1290(13) -0.0600(8) 0.110(5) Uani 1 1 d . . . . .
H59 H 0.175064 1.083801 -0.093249 0.165 Uiso 1 1 calc R U . . .
H60 H 0.139828 1.208324 -0.081546 0.165 Uiso 1 1 calc R U . . .
H61 H 0.128434 1.108499 -0.014753 0.165 Uiso 1 1 calc R U . . .
O12 O 0.4548(13) 0.6103(16) 0.4173(8) 0.212(8) Uani 1 1 d . . . . .
O10 O 0.4175(15) 0.7760(13) 0.3160(8) 0.185(6) Uani 1 1 d . . . . .
O11 O 0.4465(18) 0.6040(18) 0.3084(11) 0.251(10) Uani 1 1 d . . . . .
C8 C 0.4099(14) 0.0278(13) 0.6362(10) 0.160(9) Uani 1 1 d . . . . .
H11 H 0.454374 0.077102 0.634561 0.240 Uiso 1 1 calc R U . . .
H12 H 0.428737 -0.036165 0.677038 0.240 Uiso 1 1 calc R U . . .
H13 H 0.428604 0.001117 0.591359 0.240 Uiso 1 1 calc R U . . .
C17 C 0.3469(18) 0.6028(12) -0.0831(9) 0.129(7) Uani 1 1 d . . . . .
H39 H 0.297406 0.575275 -0.042356 0.194 Uiso 1 1 calc R U . . .
H40 H 0.426952 0.568062 -0.072862 0.194 Uiso 1 1 calc R U . . .
H41 H 0.336700 0.583701 -0.126563 0.194 Uiso 1 1 calc R U . . .
C14 C 0.3142(18) 0.7325(14) -0.0952(9) 0.108(6) Uani 1 1 d . . . . .
C21 C 0.0644(14) 0.872(2) 0.1280(9) 0.172(10) Uani 1 1 d . . . . .
H46 H -0.008641 0.869778 0.155982 0.259 Uiso 1 1 calc R U . . .
H47 H 0.094620 0.810001 0.103292 0.259 Uiso 1 1 calc R U . . .
H48 H 0.052624 0.943087 0.092381 0.259 Uiso 1 1 calc R U . . .
C22 C 0.1181(16) 0.9643(16) 0.2119(12) 0.169(10) Uani 1 1 d . . . . .
H49 H 0.035228 1.001983 0.215360 0.254 Uiso 1 1 calc R U . . .
H50 H 0.157213 1.016688 0.182260 0.254 Uiso 1 1 calc R U . . .
H51 H 0.143894 0.938184 0.260186 0.254 Uiso 1 1 calc R U . . .
C5 C 0.142(2) 0.0537(15) 0.4056(9) 0.187(12) Uani 1 1 d . . . . .
H7 H 0.210483 0.008691 0.430225 0.280 Uiso 1 1 calc R U . . .
H8 H 0.122560 0.008314 0.380004 0.280 Uiso 1 1 calc R U . . .
H9 H 0.077996 0.079533 0.441051 0.280 Uiso 1 1 calc R U . . .
C16 C 0.191(3) 0.778(2) -0.0793(18) 0.27(2) Uani 1 1 d . . . . .
H36 H 0.152724 0.733424 -0.092530 0.403 Uiso 1 1 calc R U . . .
H37 H 0.164041 0.855639 -0.107012 0.403 Uiso 1 1 calc R U . . .
H38 H 0.172307 0.777378 -0.027784 0.403 Uiso 1 1 calc R U . . .
Cl2 Cl 0.2738(9) 0.4478(5) 0.1641(3) 0.249(6) Uani 1 1 d D . . . .
C15 C 0.340(3) 0.7867(18) -0.1728(9) 0.205(14) Uani 1 1 d . . . . .
H33 H 0.322085 0.749250 -0.204510 0.308 Uiso 1 1 calc R U . . .
H34 H 0.421759 0.780308 -0.182081 0.308 Uiso 1 1 calc R U . . .
H35 H 0.294150 0.865823 -0.182194 0.308 Uiso 1 1 calc R U . . .
O13 O 0.1900(13) 0.4611(14) 0.2145(7) 0.199(8) Uani 1 1 d D . . . .
O14 O 0.215(3) 0.520(3) 0.0984(10) 0.79(5) Uani 1 1 d D U . . .
O15 O 0.308(2) 0.3449(15) 0.1463(14) 0.369(18) Uani 1 1 d D . . . .
O16 O 0.3569(16) 0.494(2) 0.1599(18) 0.43(3) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N3 1.989(9) . ?
Pt1 N4 1.991(9) . ?
Pt1 N2 2.031(8) . ?
Pt1 N1 2.043(8) . ?
Pt1 Fe1 3.0010(16) . ?
Pt2 N7 1.981(10) . ?
Pt2 N5 1.996(10) . ?
Pt2 N8 1.997(9) . ?
Pt2 N6 2.025(10) . ?
Pt2 Fe2 2.9883(17) . ?
Fe1 O3 1.854(6) . ?
Fe1 O1 1.944(7) . ?
Fe1 O2 1.965(8) . ?
Fe1 O4 1.980(6) 2_566 ?
Fe1 O4 2.002(6) . ?
Fe2 O7 1.872(7) . ?
Fe2 O6 1.947(7) . ?
Fe2 O5 1.967(8) . ?
Fe2 O8 1.977(7) . ?
Fe2 O8 2.021(7) 2_675 ?
O4 C12 1.418(11) . ?
O3 C11 1.437(12) . ?
O8 C24 1.413(12) . ?
N3 C1 1.280(13) . ?
N3 H10 0.8600 . ?
N1 H21 0.8900 . ?
N1 H22 0.8900 . ?
N1 H23 0.8900 . ?
O6 C18 1.268(12) . ?
O7 C23 1.388(14) . ?
O1 C1 1.313(13) . ?
O5 C13 1.293(12) . ?
O2 C6 1.309(14) . ?
N4 C6 1.266(12) . ?
N4 H20 0.8600 . ?
N2 H24 0.8900 . ?
N2 H25 0.8900 . ?
N2 H26 0.8900 . ?
N5 H53 0.8900 . ?
N5 H54 0.8900 . ?
N5 H55 0.8900 . ?
N7 C13 1.297(15) . ?
N7 H42 0.8600 . ?
N8 C18 1.276(14) . ?
N8 H52 0.8600 . ?
C19 C21 1.442(19) . ?
C19 C22 1.528(19) . ?
C19 C18 1.532(13) . ?
C19 C20 1.566(15) . ?
Cl1 O12 1.302(12) . ?
Cl1 O9 1.424(11) . ?
Cl1 O10 1.449(15) . ?
Cl1 O11 1.455(18) . ?
N6 H56 0.8900 . ?
N6 H57 0.8900 . ?
N6 H58 0.8900 . ?
C6 C7 1.518(16) . ?
C24 H62 0.9600 . ?
C24 H63 0.9600 . ?
C24 H64 0.9600 . ?
C1 C2 1.541(16) . ?
C2 C5 1.428(18) . ?
C2 C3 1.531(17) . ?
C2 C4 1.59(2) . ?
C7 C9 1.490(18) . ?
C7 C8 1.492(18) . ?
C7 C10 1.508(19) . ?
C13 C14 1.514(17) . ?
C20 H43 0.9600 . ?
C20 H44 0.9600 . ?
C20 H45 0.9600 . ?
C10 H17 0.9600 . ?
C10 H18 0.9600 . ?
C10 H19 0.9600 . ?
C4 H4 0.9600 . ?
C4 H5 0.9600 . ?
C4 H6 0.9600 . ?
C9 H14 0.9600 . ?
C9 H15 0.9600 . ?
C9 H16 0.9600 . ?
C3 H1 0.9600 . ?
C3 H2 0.9600 . ?
C3 H3 0.9600 . ?
C12 H30 0.9600 . ?
C12 H31 0.9600 . ?
C12 H32 0.9600 . ?
C11 H27 0.9600 . ?
C11 H28 0.9600 . ?
C11 H29 0.9600 . ?
C23 H59 0.9600 . ?
C23 H60 0.9600 . ?
C23 H61 0.9600 . ?
C8 H11 0.9600 . ?
C8 H12 0.9600 . ?
C8 H13 0.9600 . ?
C17 C14 1.531(19) . ?
C17 H39 0.9600 . ?
C17 H40 0.9600 . ?
C17 H41 0.9600 . ?
C14 C16 1.43(3) . ?
C14 C15 1.48(2) . ?
C21 H46 0.9600 . ?
C21 H47 0.9600 . ?
C21 H48 0.9600 . ?
C22 H49 0.9600 . ?
C22 H50 0.9600 . ?
C22 H51 0.9600 . ?
C5 H7 0.9600 . ?
C5 H8 0.9600 . ?
C5 H9 0.9600 . ?
C16 H36 0.9600 . ?
C16 H37 0.9600 . ?
C16 H38 0.9600 . ?
Cl2 O13 1.267(10) . ?
Cl2 O16 1.328(14) . ?
Cl2 O15 1.353(12) . ?
Cl2 O14 1.481(16) . ?
C15 H33 0.9600 . ?
C15 H34 0.9600 . ?
C15 H35 0.9600 . ?

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
_geom_angle_publ_flag
N3 Pt1 N4 90.1(4) . . ?
N3 Pt1 N2 90.1(3) . . ?
N4 Pt1 N2 179.1(3) . . ?
N3 Pt1 N1 178.9(3) . . ?
N4 Pt1 N1 91.0(4) . . ?
N2 Pt1 N1 88.8(3) . . ?
N3 Pt1 Fe1 81.3(2) . . ?
N4 Pt1 Fe1 80.4(3) . . ?
N2 Pt1 Fe1 100.5(2) . . ?
N1 Pt1 Fe1 99.0(2) . . ?
N7 Pt2 N5 179.7(4) . . ?
N7 Pt2 N8 90.1(4) . . ?
N5 Pt2 N8 89.9(4) . . ?
N7 Pt2 N6 90.6(4) . . ?
N5 Pt2 N6 89.4(4) . . ?
N8 Pt2 N6 179.1(4) . . ?
N7 Pt2 Fe2 80.2(3) . . ?
N5 Pt2 Fe2 100.2(3) . . ?
N8 Pt2 Fe2 80.9(3) . . ?
N6 Pt2 Fe2 99.8(3) . . ?
O3 Fe1 O1 94.6(3) . . ?
O3 Fe1 O2 97.2(3) . . ?
O1 Fe1 O2 93.9(4) . . ?
O3 Fe1 O4 99.2(3) . 2_566 ?
O1 Fe1 O4 163.6(3) . 2_566 ?
O2 Fe1 O4 93.1(3) . 2_566 ?
O3 Fe1 O4 99.9(3) . . ?
O1 Fe1 O4 94.3(3) . . ?
O2 Fe1 O4 160.4(3) . . ?
O4 Fe1 O4 74.8(3) 2_566 . ?
O3 Fe1 Pt1 169.7(2) . . ?
O1 Fe1 Pt1 77.2(2) . . ?
O2 Fe1 Pt1 77.4(2) . . ?
O4 Fe1 Pt1 89.89(18) 2_566 . ?
O4 Fe1 Pt1 87.06(18) . . ?
O7 Fe2 O6 95.1(3) . . ?
O7 Fe2 O5 98.1(3) . . ?
O6 Fe2 O5 95.0(3) . . ?
O7 Fe2 O8 98.6(3) . . ?
O6 Fe2 O8 93.4(3) . . ?
O5 Fe2 O8 160.5(3) . . ?
O7 Fe2 O8 99.0(3) . 2_675 ?
O6 Fe2 O8 162.7(3) . 2_675 ?
O5 Fe2 O8 92.9(3) . 2_675 ?
O8 Fe2 O8 74.7(3) . 2_675 ?
O7 Fe2 Pt2 170.1(2) . . ?
O6 Fe2 Pt2 76.7(2) . . ?
O5 Fe2 Pt2 77.3(2) . . ?
O8 Fe2 Pt2 87.6(2) . . ?
O8 Fe2 Pt2 90.1(2) 2_675 . ?
C12 O4 Fe1 128.1(6) . 2_566 ?
C12 O4 Fe1 126.5(6) . . ?
Fe1 O4 Fe1 105.2(3) 2_566 . ?
C11 O3 Fe1 124.1(7) . . ?
C24 O8 Fe2 127.7(7) . . ?
C24 O8 Fe2 126.9(8) . 2_675 ?
Fe2 O8 Fe2 105.3(3) . 2_675 ?
C1 N3 Pt1 126.1(7) . . ?
C1 N3 H10 117.0 . . ?
Pt1 N3 H10 117.0 . . ?
Pt1 N1 H21 109.5 . . ?
Pt1 N1 H22 109.5 . . ?
H21 N1 H22 109.5 . . ?
Pt1 N1 H23 109.5 . . ?
H21 N1 H23 109.5 . . ?
H22 N1 H23 109.5 . . ?
C18 O6 Fe2 134.4(8) . . ?
C23 O7 Fe2 124.8(7) . . ?
C1 O1 Fe1 133.1(7) . . ?
C13 O5 Fe2 132.3(7) . . ?
C6 O2 Fe1 131.6(7) . . ?
C6 N4 Pt1 127.8(8) . . ?
C6 N4 H20 116.1 . . ?
Pt1 N4 H20 116.1 . . ?
Pt1 N2 H24 109.5 . . ?
Pt1 N2 H25 109.5 . . ?
H24 N2 H25 109.5 . . ?
Pt1 N2 H26 109.5 . . ?
H24 N2 H26 109.5 . . ?
H25 N2 H26 109.5 . . ?
Pt2 N5 H53 109.5 . . ?
Pt2 N5 H54 109.5 . . ?
H53 N5 H54 109.5 . . ?
Pt2 N5 H55 109.5 . . ?
H53 N5 H55 109.5 . . ?
H54 N5 H55 109.5 . . ?
C13 N7 Pt2 128.8(9) . . ?
C13 N7 H42 115.6 . . ?
Pt2 N7 H42 115.6 . . ?
C18 N8 Pt2 126.0(7) . . ?
C18 N8 H52 117.0 . . ?
Pt2 N8 H52 117.0 . . ?
C21 C19 C22 115.2(16) . . ?
C21 C19 C18 107.1(10) . . ?
C22 C19 C18 107.2(10) . . ?
C21 C19 C20 109.0(11) . . ?
C22 C19 C20 106.6(12) . . ?
C18 C19 C20 111.9(10) . . ?
O6 C18 N8 121.9(10) . . ?
O6 C18 C19 115.3(11) . . ?
N8 C18 C19 122.8(10) . . ?
O12 Cl1 O9 112.1(9) . . ?
O12 Cl1 O10 123.5(11) . . ?
O9 Cl1 O10 114.5(9) . . ?
O12 Cl1 O11 99.7(10) . . ?
O9 Cl1 O11 107.0(11) . . ?
O10 Cl1 O11 95.4(11) . . ?
Pt2 N6 H56 109.5 . . ?
Pt2 N6 H57 109.5 . . ?
H56 N6 H57 109.5 . . ?
Pt2 N6 H58 109.5 . . ?
H56 N6 H58 109.5 . . ?
H57 N6 H58 109.5 . . ?
N4 C6 O2 121.6(11) . . ?
N4 C6 C7 123.9(12) . . ?
O2 C6 C7 114.4(9) . . ?
O8 C24 H62 109.5 . . ?
O8 C24 H63 109.5 . . ?
H62 C24 H63 109.5 . . ?
O8 C24 H64 109.5 . . ?
H62 C24 H64 109.5 . . ?
H63 C24 H64 109.5 . . ?
N3 C1 O1 122.2(10) . . ?
N3 C1 C2 123.4(11) . . ?
O1 C1 C2 114.4(10) . . ?
C5 C2 C3 111.1(14) . . ?
C5 C2 C1 109.0(12) . . ?
C3 C2 C1 111.9(12) . . ?
C5 C2 C4 106.5(16) . . ?
C3 C2 C4 109.6(13) . . ?
C1 C2 C4 108.5(11) . . ?
C9 C7 C8 107.5(14) . . ?
C9 C7 C10 110.6(12) . . ?
C8 C7 C10 109.3(14) . . ?
C9 C7 C6 109.1(12) . . ?
C8 C7 C6 112.9(11) . . ?
C10 C7 C6 107.5(11) . . ?
O5 C13 N7 118.9(11) . . ?
O5 C13 C14 116.1(11) . . ?
N7 C13 C14 124.9(12) . . ?
C19 C20 H43 109.5 . . ?
C19 C20 H44 109.5 . . ?
H43 C20 H44 109.5 . . ?
C19 C20 H45 109.5 . . ?
H43 C20 H45 109.5 . . ?
H44 C20 H45 109.5 . . ?
C7 C10 H17 109.5 . . ?
C7 C10 H18 109.5 . . ?
H17 C10 H18 109.5 . . ?
C7 C10 H19 109.5 . . ?
H17 C10 H19 109.5 . . ?
H18 C10 H19 109.5 . . ?
C2 C4 H4 109.5 . . ?
C2 C4 H5 109.5 . . ?
H4 C4 H5 109.5 . . ?
C2 C4 H6 109.5 . . ?
H4 C4 H6 109.5 . . ?
H5 C4 H6 109.5 . . ?
C7 C9 H14 109.5 . . ?
C7 C9 H15 109.5 . . ?
H14 C9 H15 109.5 . . ?
C7 C9 H16 109.5 . . ?
H14 C9 H16 109.5 . . ?
H15 C9 H16 109.5 . . ?
C2 C3 H1 109.5 . . ?
C2 C3 H2 109.5 . . ?
H1 C3 H2 109.5 . . ?
C2 C3 H3 109.5 . . ?
H1 C3 H3 109.5 . . ?
H2 C3 H3 109.5 . . ?
O4 C12 H30 109.5 . . ?
O4 C12 H31 109.5 . . ?
H30 C12 H31 109.5 . . ?
O4 C12 H32 109.5 . . ?
H30 C12 H32 109.5 . . ?
H31 C12 H32 109.5 . . ?
O3 C11 H27 109.5 . . ?
O3 C11 H28 109.5 . . ?
H27 C11 H28 109.5 . . ?
O3 C11 H29 109.5 . . ?
H27 C11 H29 109.5 . . ?
H28 C11 H29 109.5 . . ?
O7 C23 H59 109.5 . . ?
O7 C23 H60 109.5 . . ?
H59 C23 H60 109.5 . . ?
O7 C23 H61 109.5 . . ?
H59 C23 H61 109.5 . . ?
H60 C23 H61 109.5 . . ?
C7 C8 H11 109.5 . . ?
C7 C8 H12 109.5 . . ?
H11 C8 H12 109.5 . . ?
C7 C8 H13 109.5 . . ?
H11 C8 H13 109.5 . . ?
H12 C8 H13 109.5 . . ?
C14 C17 H39 109.5 . . ?
C14 C17 H40 109.5 . . ?
H39 C17 H40 109.5 . . ?
C14 C17 H41 109.5 . . ?
H39 C17 H41 109.5 . . ?
H40 C17 H41 109.5 . . ?
C16 C14 C15 106(2) . . ?
C16 C14 C13 107.9(17) . . ?
C15 C14 C13 110.1(15) . . ?
C16 C14 C17 108.6(16) . . ?
C15 C14 C17 112.2(16) . . ?
C13 C14 C17 112.1(13) . . ?
C19 C21 H46 109.5 . . ?
C19 C21 H47 109.5 . . ?
H46 C21 H47 109.5 . . ?
C19 C21 H48 109.5 . . ?
H46 C21 H48 109.5 . . ?
H47 C21 H48 109.5 . . ?
C19 C22 H49 109.5 . . ?
C19 C22 H50 109.5 . . ?
H49 C22 H50 109.5 . . ?
C19 C22 H51 109.5 . . ?
H49 C22 H51 109.5 . . ?
H50 C22 H51 109.5 . . ?
C2 C5 H7 109.5 . . ?
C2 C5 H8 109.5 . . ?
H7 C5 H8 109.5 . . ?
C2 C5 H9 109.5 . . ?
H7 C5 H9 109.5 . . ?
H8 C5 H9 109.5 . . ?
C14 C16 H36 109.5 . . ?
C14 C16 H37 109.5 . . ?
H36 C16 H37 109.5 . . ?
C14 C16 H38 109.5 . . ?
H36 C16 H38 109.5 . . ?
H37 C16 H38 109.5 . . ?
O13 Cl2 O16 119.7(13) . . ?
O13 Cl2 O15 113.9(11) . . ?
O16 Cl2 O15 116.7(13) . . ?
O13 Cl2 O14 101.5(14) . . ?
O16 Cl2 O14 100.4(12) . . ?
O15 Cl2 O14 99.5(12) . . ?
C14 C15 H33 109.5 . . ?
C14 C15 H34 109.5 . . ?
H33 C15 H34 109.5 . . ?
C14 C15 H35 109.5 . . ?
H33 C15 H35 109.5 . . ?
H34 C15 H35 109.5 . . ?

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
_geom_torsion_publ_flag
O1 Fe1 O3 C11 37.5(9) . . . . ?
O2 Fe1 O3 C11 -57.0(9) . . . . ?
O4 Fe1 O3 C11 -151.3(8) 2_566 . . . ?
O4 Fe1 O3 C11 132.7(8) . . . . ?
Pt1 Fe1 O3 C11 0.8(19) . . . . ?
O6 Fe2 O7 C23 -47.3(11) . . . . ?
O5 Fe2 O7 C23 48.5(11) . . . . ?
O8 Fe2 O7 C23 -141.6(11) . . . . ?
O8 Fe2 O7 C23 142.7(11) 2_675 . . . ?
Fe2 O6 C18 N8 6.4(17) . . . . ?
Fe2 O6 C18 C19 -172.8(8) . . . . ?
Pt2 N8 C18 O6 -6.4(17) . . . . ?
Pt2 N8 C18 C19 172.8(8) . . . . ?
C21 C19 C18 O6 64.2(16) . . . . ?
C22 C19 C18 O6 -60.0(15) . . . . ?
C20 C19 C18 O6 -176.5(10) . . . . ?
C21 C19 C18 N8 -115.1(15) . . . . ?
C22 C19 C18 N8 120.7(15) . . . . ?
C20 C19 C18 N8 4.2(16) . . . . ?
Pt1 N4 C6 O2 -4.2(19) . . . . ?
Pt1 N4 C6 C7 178.7(10) . . . . ?
Fe1 O2 C6 N4 13(2) . . . . ?
Fe1 O2 C6 C7 -169.5(9) . . . . ?
Pt1 N3 C1 O1 4.5(16) . . . . ?
Pt1 N3 C1 C2 -175.0(8) . . . . ?
Fe1 O1 C1 N3 -5.7(17) . . . . ?
Fe1 O1 C1 C2 174.0(8) . . . . ?
N3 C1 C2 C5 121.2(16) . . . . ?
O1 C1 C2 C5 -58.4(18) . . . . ?
N3 C1 C2 C3 -2.1(18) . . . . ?
O1 C1 C2 C3 178.3(11) . . . . ?
N3 C1 C2 C4 -123.1(14) . . . . ?
O1 C1 C2 C4 57.2(15) . . . . ?
N4 C6 C7 C9 -129.6(15) . . . . ?
O2 C6 C7 C9 53.1(17) . . . . ?
N4 C6 C7 C8 -10(2) . . . . ?
O2 C6 C7 C8 172.6(14) . . . . ?
N4 C6 C7 C10 110.5(14) . . . . ?
O2 C6 C7 C10 -66.8(15) . . . . ?
Fe2 O5 C13 N7 -20.7(18) . . . . ?
Fe2 O5 C13 C14 162.5(11) . . . . ?
Pt2 N7 C13 O5 8.0(19) . . . . ?
Pt2 N7 C13 C14 -175.5(12) . . . . ?
O5 C13 C14 C16 -70.0(19) . . . . ?
N7 C13 C14 C16 113.4(19) . . . . ?
O5 C13 C14 C15 45(2) . . . . ?
N7 C13 C14 C15 -131.8(18) . . . . ?
O5 C13 C14 C17 170.4(14) . . . . ?
N7 C13 C14 C17 -6(2) . . . . ?

_refine_diff_density_max         1.908
_refine_diff_density_min         -1.833
_refine_diff_density_rms         0.169



_exptl_crystal_preparation       'Magnetic properties'
