# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_ris206
_database_code_depnum_ccdc_archive 'CCDC 1000084'
_audit_update_record             
;
2014-04-29 deposited with the CCDC.
2015-06-29 downloaded from the CCDC.
;

# This structure was measured,
# solved and refined by:
# Rino Schwenk

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_properties_physical    air-sensitive
_chemical_formula_moiety         'C35 H35 Cl2 F3 Fe P2 Pt'
_chemical_formula_sum            'C35 H35 Cl2 F3 Fe P2 Pt'
_chemical_formula_weight         896.41
_chemical_absolute_configuration syn

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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_symmetry_int_tables_number      19

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.7934(2)
_cell_length_b                   17.1179(4)
_cell_length_c                   19.1737(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3214.33(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9802
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      29.52

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method pentane/CDCl3
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1760
_exptl_absorpt_coefficient_mu    5.108
_exptl_absorpt_correction_type   'Multi Scan'
_exptl_absorpt_correction_T_min  0.2680
_exptl_absorpt_correction_T_max  0.4358
_exptl_absorpt_process_details   SADABS-2004/1

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            66315
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         28.28
_reflns_number_total             7954
_reflns_number_gt                7717
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     patterson
_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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(2)
_refine_ls_number_reflns         7954
_refine_ls_number_parameters     402
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0156
_refine_ls_R_factor_gt           0.0148
_refine_ls_wR_factor_ref         0.0300
_refine_ls_wR_factor_gt          0.0299
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_restrained_S_all      0.943
_refine_ls_shift/su_max          0.002
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.876381(9) 0.277900(5) 0.215588(4) 0.01066(2) Uani 1 1 d . . .
Fe1 Fe 0.67109(3) 0.529846(19) 0.157614(16) 0.01265(7) Uani 1 1 d . . .
Cl1 Cl 1.08385(6) 0.21482(4) 0.23788(3) 0.01730(11) Uani 1 1 d . . .
Cl2 Cl 0.79693(6) 0.15888(3) 0.16846(3) 0.01675(12) Uani 1 1 d . . .
P1 P 0.67921(6) 0.33046(4) 0.18293(3) 0.01167(12) Uani 1 1 d . . .
P2 P 0.96863(6) 0.38932(3) 0.25644(3) 0.01131(12) Uani 1 1 d . . .
F1 F 0.41173(13) 0.31515(8) 0.21891(8) 0.0259(3) Uani 1 1 d . . .
F2 F 0.50162(15) 0.20804(8) 0.18513(8) 0.0308(4) Uani 1 1 d . . .
F3 F 0.55228(15) 0.25552(9) 0.28631(7) 0.0340(4) Uani 1 1 d . . .
C1 C 0.7212(2) 0.47928(14) 0.25167(10) 0.0131(5) Uani 1 1 d . . .
C2 C 0.6376(2) 0.42725(12) 0.20999(10) 0.0119(4) Uani 1 1 d . . .
C3 C 0.5107(2) 0.46795(14) 0.19554(11) 0.0154(5) Uani 1 1 d . . .
H3 H 0.4324 0.4472 0.1677 0.018 Uiso 1 1 calc R . .
C4 C 0.5164(2) 0.54131(14) 0.22851(11) 0.0166(5) Uani 1 1 d . . .
H4 H 0.4432 0.5820 0.2273 0.020 Uiso 1 1 calc R . .
C5 C 0.6449(2) 0.54884(13) 0.26202(10) 0.0151(5) Uani 1 1 d . . .
H5 H 0.6771 0.5959 0.2882 0.018 Uiso 1 1 calc R . .
C6 C 0.8216(3) 0.60062(14) 0.11873(11) 0.0198(5) Uani 1 1 d . . .
H6 H 0.9010 0.6217 0.1456 0.024 Uiso 1 1 calc R . .
C7 C 0.8192(2) 0.52879(14) 0.08095(11) 0.0166(5) Uani 1 1 d . . .
H7 H 0.8959 0.4906 0.0765 0.020 Uiso 1 1 calc R . .
C8 C 0.6862(3) 0.52175(14) 0.05090(11) 0.0176(5) Uani 1 1 d . . .
H8 H 0.6532 0.4772 0.0217 0.021 Uiso 1 1 calc R . .
C9 C 0.6096(3) 0.58801(14) 0.06957(11) 0.0198(5) Uani 1 1 d . . .
H9 H 0.5129 0.5986 0.0558 0.024 Uiso 1 1 calc R . .
C10 C 0.6921(3) 0.63697(14) 0.11170(12) 0.0200(5) Uani 1 1 d . . .
H10 H 0.6644 0.6882 0.1323 0.024 Uiso 1 1 calc R . .
C11 C 0.8509(2) 0.46340(13) 0.29217(10) 0.0135(5) Uani 1 1 d . . .
H11 H 0.9026 0.5137 0.2941 0.016 Uiso 1 1 calc R . .
C12 C 0.8093(3) 0.44318(16) 0.36820(11) 0.0214(6) Uani 1 1 d . . .
H12A H 0.7451 0.4826 0.3855 0.032 Uiso 1 1 calc R . .
H12B H 0.8908 0.4426 0.3979 0.032 Uiso 1 1 calc R . .
H12C H 0.7658 0.3916 0.3692 0.032 Uiso 1 1 calc R . .
C13 C 0.6548(2) 0.32575(13) 0.08873(11) 0.0136(5) Uani 1 1 d . . .
C14 C 0.5271(3) 0.32671(14) 0.05701(12) 0.0187(5) Uani 1 1 d . . .
H14 H 0.4463 0.3255 0.0844 0.022 Uiso 1 1 calc R . .
C15 C 0.5192(3) 0.32946(15) -0.01550(13) 0.0235(6) Uani 1 1 d . . .
H15 H 0.4323 0.3297 -0.0376 0.028 Uiso 1 1 calc R . .
C16 C 0.6365(3) 0.33187(14) -0.05565(11) 0.0232(6) Uani 1 1 d . . .
H16 H 0.6299 0.3347 -0.1050 0.028 Uiso 1 1 calc R . .
C17 C 0.7626(3) 0.33025(15) -0.02430(12) 0.0195(5) Uani 1 1 d . . .
H17 H 0.8431 0.3316 -0.0519 0.023 Uiso 1 1 calc R . .
C18 C 0.7719(3) 0.32664(14) 0.04824(12) 0.0171(5) Uani 1 1 d . . .
H18 H 0.8590 0.3248 0.0700 0.021 Uiso 1 1 calc R . .
C19 C 0.5275(2) 0.27420(14) 0.21922(12) 0.0189(5) Uani 1 1 d . . .
C20 C 1.0876(2) 0.37306(13) 0.32822(11) 0.0128(5) Uani 1 1 d . . .
C21 C 1.0515(2) 0.31905(14) 0.38025(11) 0.0146(5) Uani 1 1 d . . .
H21 H 0.9675 0.2916 0.3767 0.018 Uiso 1 1 calc R . .
C22 C 1.1368(3) 0.30530(13) 0.43684(10) 0.0152(5) Uani 1 1 d . . .
C23 C 1.0979(3) 0.24735(14) 0.49317(11) 0.0196(6) Uani 1 1 d . . .
H23A H 1.0311 0.2713 0.5247 0.029 Uiso 1 1 calc R . .
H23B H 1.1795 0.2325 0.5196 0.029 Uiso 1 1 calc R . .
H23C H 1.0579 0.2007 0.4716 0.029 Uiso 1 1 calc R . .
C24 C 1.2601(2) 0.34546(15) 0.43971(12) 0.0179(5) Uani 1 1 d . . .
H24 H 1.3202 0.3358 0.4777 0.021 Uiso 1 1 calc R . .
C25 C 1.2985(2) 0.39908(15) 0.38912(12) 0.0174(5) Uani 1 1 d . . .
C26 C 1.4348(3) 0.44051(18) 0.39253(13) 0.0285(7) Uani 1 1 d . . .
H26A H 1.4724 0.4358 0.4397 0.043 Uiso 1 1 calc R . .
H26B H 1.4223 0.4958 0.3811 0.043 Uiso 1 1 calc R . .
H26C H 1.4979 0.4167 0.3590 0.043 Uiso 1 1 calc R . .
C27 C 1.2096(2) 0.41259(14) 0.33305(11) 0.0154(5) Uani 1 1 d . . .
H27 H 1.2338 0.4494 0.2981 0.018 Uiso 1 1 calc R . .
C28 C 1.0655(2) 0.43691(13) 0.18729(11) 0.0117(5) Uani 1 1 d . . .
C29 C 1.1054(2) 0.51522(13) 0.19105(11) 0.0140(5) Uani 1 1 d . . .
H29 H 1.0852 0.5450 0.2316 0.017 Uiso 1 1 calc R . .
C30 C 1.1748(2) 0.54975(14) 0.13550(11) 0.0141(5) Uani 1 1 d . . .
C31 C 1.2155(3) 0.63443(14) 0.13847(12) 0.0172(5) Uani 1 1 d . . .
H31A H 1.3086 0.6404 0.1205 0.026 Uiso 1 1 calc R . .
H31B H 1.2118 0.6527 0.1869 0.026 Uiso 1 1 calc R . .
H31C H 1.1525 0.6654 0.1099 0.026 Uiso 1 1 calc R . .
C32 C 1.1989(2) 0.50581(14) 0.07564(11) 0.0148(5) Uani 1 1 d . . .
H32 H 1.2443 0.5296 0.0374 0.018 Uiso 1 1 calc R . .
C33 C 1.1587(2) 0.42849(14) 0.07019(11) 0.0152(5) Uani 1 1 d . . .
C34 C 1.1729(3) 0.38436(15) 0.00231(11) 0.0238(6) Uani 1 1 d . . .
H34A H 1.0837 0.3811 -0.0207 0.036 Uiso 1 1 calc R . .
H34B H 1.2070 0.3316 0.0117 0.036 Uiso 1 1 calc R . .
H34C H 1.2373 0.4118 -0.0282 0.036 Uiso 1 1 calc R . .
C35 C 1.0951(2) 0.39386(13) 0.12740(11) 0.0140(5) Uani 1 1 d . . .
H35 H 1.0716 0.3401 0.1256 0.017 Uiso 1 1 calc R . .


_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 P1 2.2205(6) . ?
Pt1 P2 2.2510(6) . ?
Pt1 Cl1 2.3403(5) . ?
Pt1 Cl2 2.3607(6) . ?
Fe1 C3 2.029(2) . ?
Fe1 C5 2.044(2) . ?
Fe1 C10 2.045(2) . ?
Fe1 C4 2.045(2) . ?
Fe1 C6 2.049(2) . ?
Fe1 C2 2.049(2) . ?
Fe1 C9 2.050(2) . ?
Fe1 C8 2.056(2) . ?
Fe1 C1 2.060(2) . ?
Fe1 C7 2.065(2) . ?
P1 C2 1.783(2) . ?
P1 C13 1.824(2) . ?
P1 C19 1.902(2) . ?
P2 C28 1.822(2) . ?
P2 C20 1.825(2) . ?
P2 C11 1.846(2) . ?
F1 C19 1.333(3) . ?
F2 C19 1.332(3) . ?
F3 C19 1.347(3) . ?
C1 C5 1.420(3) . ?
C1 C2 1.450(3) . ?
C1 C11 1.513(3) . ?
C2 C3 1.451(3) . ?
C3 C4 1.407(3) . ?
C4 C5 1.419(3) . ?
C6 C10 1.419(4) . ?
C6 C7 1.427(3) . ?
C7 C8 1.429(3) . ?
C8 C9 1.407(3) . ?
C9 C10 1.417(3) . ?
C11 C12 1.553(3) . ?
C13 C18 1.385(3) . ?
C13 C14 1.391(3) . ?
C14 C15 1.393(3) . ?
C15 C16 1.384(4) . ?
C16 C17 1.373(4) . ?
C17 C18 1.395(3) . ?
C20 C27 1.376(3) . ?
C20 C21 1.406(3) . ?
C21 C22 1.389(3) . ?
C22 C24 1.391(3) . ?
C22 C23 1.515(3) . ?
C24 C25 1.387(3) . ?
C25 C27 1.403(3) . ?
C25 C26 1.512(3) . ?
C28 C35 1.395(3) . ?
C28 C29 1.398(3) . ?
C29 C30 1.395(3) . ?
C30 C32 1.392(3) . ?
C30 C31 1.504(3) . ?
C32 C33 1.385(3) . ?
C33 C35 1.394(3) . ?
C33 C34 1.511(3) . ?

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
P1 Pt1 P2 95.96(2) . . ?
P1 Pt1 Cl1 173.46(2) . . ?
P2 Pt1 Cl1 88.79(2) . . ?
P1 Pt1 Cl2 87.43(2) . . ?
P2 Pt1 Cl2 175.34(2) . . ?
Cl1 Pt1 Cl2 87.59(2) . . ?
C3 Fe1 C5 68.60(9) . . ?
C3 Fe1 C10 134.47(10) . . ?
C5 Fe1 C10 106.96(10) . . ?
C3 Fe1 C4 40.41(9) . . ?
C5 Fe1 C4 40.61(9) . . ?
C10 Fe1 C4 105.95(10) . . ?
C3 Fe1 C6 174.95(10) . . ?
C5 Fe1 C6 110.64(9) . . ?
C10 Fe1 C6 40.58(10) . . ?
C4 Fe1 C6 135.92(10) . . ?
C3 Fe1 C2 41.69(9) . . ?
C5 Fe1 C2 68.68(8) . . ?
C10 Fe1 C2 174.67(9) . . ?
C4 Fe1 C2 68.78(9) . . ?
C6 Fe1 C2 143.14(10) . . ?
C3 Fe1 C9 108.74(10) . . ?
C5 Fe1 C9 133.81(9) . . ?
C10 Fe1 C9 40.50(9) . . ?
C4 Fe1 C9 106.45(10) . . ?
C6 Fe1 C9 67.96(10) . . ?
C2 Fe1 C9 140.58(9) . . ?
C3 Fe1 C8 112.16(9) . . ?
C5 Fe1 C8 173.86(10) . . ?
C10 Fe1 C8 67.96(10) . . ?
C4 Fe1 C8 136.18(10) . . ?
C6 Fe1 C8 68.02(9) . . ?
C2 Fe1 C8 116.19(9) . . ?
C9 Fe1 C8 40.06(9) . . ?
C3 Fe1 C1 69.59(9) . . ?
C5 Fe1 C1 40.47(9) . . ?
C10 Fe1 C1 136.88(10) . . ?
C4 Fe1 C1 68.58(9) . . ?
C6 Fe1 C1 113.30(9) . . ?
C2 Fe1 C1 41.32(8) . . ?
C9 Fe1 C1 174.25(9) . . ?
C8 Fe1 C1 145.66(10) . . ?
C3 Fe1 C7 142.56(9) . . ?
C5 Fe1 C7 141.86(9) . . ?
C10 Fe1 C7 68.33(10) . . ?
C4 Fe1 C7 173.91(9) . . ?
C6 Fe1 C7 40.60(9) . . ?
C2 Fe1 C7 116.97(9) . . ?
C9 Fe1 C7 67.95(10) . . ?
C8 Fe1 C7 40.57(9) . . ?
C1 Fe1 C7 116.88(9) . . ?
C2 P1 C13 107.42(10) . . ?
C2 P1 C19 100.70(11) . . ?
C13 P1 C19 103.75(10) . . ?
C2 P1 Pt1 119.54(8) . . ?
C13 P1 Pt1 112.05(8) . . ?
C19 P1 Pt1 111.76(7) . . ?
C28 P2 C20 106.53(10) . . ?
C28 P2 C11 106.73(10) . . ?
C20 P2 C11 102.92(9) . . ?
C28 P2 Pt1 109.54(7) . . ?
C20 P2 Pt1 112.93(8) . . ?
C11 P2 Pt1 117.43(7) . . ?
C5 C1 C2 107.16(19) . . ?
C5 C1 C11 121.4(2) . . ?
C2 C1 C11 130.3(2) . . ?
C5 C1 Fe1 69.18(12) . . ?
C2 C1 Fe1 68.95(11) . . ?
C11 C1 Fe1 136.46(15) . . ?
C1 C2 C3 107.09(18) . . ?
C1 C2 P1 127.02(17) . . ?
C3 C2 P1 125.87(16) . . ?
C1 C2 Fe1 69.72(12) . . ?
C3 C2 Fe1 68.41(12) . . ?
P1 C2 Fe1 128.11(11) . . ?
C4 C3 C2 108.0(2) . . ?
C4 C3 Fe1 70.39(13) . . ?
C2 C3 Fe1 69.90(12) . . ?
C3 C4 C5 108.6(2) . . ?
C3 C4 Fe1 69.20(13) . . ?
C5 C4 Fe1 69.68(13) . . ?
C4 C5 C1 109.1(2) . . ?
C4 C5 Fe1 69.71(12) . . ?
C1 C5 Fe1 70.35(12) . . ?
C10 C6 C7 108.3(2) . . ?
C10 C6 Fe1 69.55(14) . . ?
C7 C6 Fe1 70.31(14) . . ?
C6 C7 C8 107.0(2) . . ?
C6 C7 Fe1 69.09(13) . . ?
C8 C7 Fe1 69.39(12) . . ?
C9 C8 C7 108.4(2) . . ?
C9 C8 Fe1 69.75(13) . . ?
C7 C8 Fe1 70.05(12) . . ?
C8 C9 C10 108.5(2) . . ?
C8 C9 Fe1 70.19(13) . . ?
C10 C9 Fe1 69.53(13) . . ?
C9 C10 C6 107.7(2) . . ?
C9 C10 Fe1 69.98(13) . . ?
C6 C10 Fe1 69.87(14) . . ?
C1 C11 C12 107.55(17) . . ?
C1 C11 P2 117.20(15) . . ?
C12 C11 P2 111.06(16) . . ?
C18 C13 C14 119.9(2) . . ?
C18 C13 P1 116.51(17) . . ?
C14 C13 P1 123.40(18) . . ?
C13 C14 C15 119.1(2) . . ?
C16 C15 C14 120.6(2) . . ?
C17 C16 C15 120.2(2) . . ?
C16 C17 C18 119.7(2) . . ?
C13 C18 C17 120.4(2) . . ?
F2 C19 F1 106.42(18) . . ?
F2 C19 F3 107.5(2) . . ?
F1 C19 F3 106.38(19) . . ?
F2 C19 P1 113.56(16) . . ?
F1 C19 P1 113.35(16) . . ?
F3 C19 P1 109.21(15) . . ?
C27 C20 C21 119.6(2) . . ?
C27 C20 P2 122.02(17) . . ?
C21 C20 P2 118.34(17) . . ?
C22 C21 C20 120.9(2) . . ?
C21 C22 C24 118.0(2) . . ?
C21 C22 C23 121.1(2) . . ?
C24 C22 C23 120.9(2) . . ?
C25 C24 C22 122.3(2) . . ?
C24 C25 C27 118.5(2) . . ?
C24 C25 C26 121.3(2) . . ?
C27 C25 C26 120.2(2) . . ?
C20 C27 C25 120.6(2) . . ?
C35 C28 C29 119.4(2) . . ?
C35 C28 P2 118.09(17) . . ?
C29 C28 P2 122.46(17) . . ?
C30 C29 C28 120.2(2) . . ?
C32 C30 C29 118.9(2) . . ?
C32 C30 C31 120.4(2) . . ?
C29 C30 C31 120.6(2) . . ?
C33 C32 C30 122.0(2) . . ?
C32 C33 C35 118.3(2) . . ?
C32 C33 C34 121.1(2) . . ?
C35 C33 C34 120.4(2) . . ?
C33 C35 C28 121.1(2) . . ?

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
P2 Pt1 P1 C2 -11.50(8) . . . . ?
Cl2 Pt1 P1 C2 171.71(8) . . . . ?
P2 Pt1 P1 C13 115.42(8) . . . . ?
Cl2 Pt1 P1 C13 -61.37(8) . . . . ?
P2 Pt1 P1 C19 -128.63(8) . . . . ?
Cl2 Pt1 P1 C19 54.58(8) . . . . ?
P1 Pt1 P2 C28 -91.92(8) . . . . ?
Cl1 Pt1 P2 C28 83.57(8) . . . . ?
P1 Pt1 P2 C20 149.52(8) . . . . ?
Cl1 Pt1 P2 C20 -34.99(8) . . . . ?
P1 Pt1 P2 C11 29.98(8) . . . . ?
Cl1 Pt1 P2 C11 -154.53(8) . . . . ?
C3 Fe1 C1 C5 -80.58(14) . . . . ?
C10 Fe1 C1 C5 53.55(19) . . . . ?
C4 Fe1 C1 C5 -37.19(13) . . . . ?
C6 Fe1 C1 C5 94.97(15) . . . . ?
C2 Fe1 C1 C5 -118.98(18) . . . . ?
C8 Fe1 C1 C5 179.70(16) . . . . ?
C7 Fe1 C1 C5 139.85(14) . . . . ?
C3 Fe1 C1 C2 38.41(13) . . . . ?
C5 Fe1 C1 C2 118.98(18) . . . . ?
C10 Fe1 C1 C2 172.54(14) . . . . ?
C4 Fe1 C1 C2 81.79(13) . . . . ?
C6 Fe1 C1 C2 -146.05(13) . . . . ?
C8 Fe1 C1 C2 -61.3(2) . . . . ?
C7 Fe1 C1 C2 -101.16(14) . . . . ?
C3 Fe1 C1 C11 165.3(3) . . . . ?
C5 Fe1 C1 C11 -114.1(3) . . . . ?
C10 Fe1 C1 C11 -60.6(3) . . . . ?
C4 Fe1 C1 C11 -151.3(3) . . . . ?
C6 Fe1 C1 C11 -19.1(3) . . . . ?
C2 Fe1 C1 C11 126.9(3) . . . . ?
C8 Fe1 C1 C11 65.6(3) . . . . ?
C7 Fe1 C1 C11 25.7(3) . . . . ?
C5 C1 C2 C3 0.4(2) . . . . ?
C11 C1 C2 C3 167.8(2) . . . . ?
Fe1 C1 C2 C3 -58.40(14) . . . . ?
C5 C1 C2 P1 -178.11(16) . . . . ?
C11 C1 C2 P1 -10.7(3) . . . . ?
Fe1 C1 C2 P1 123.05(18) . . . . ?
C5 C1 C2 Fe1 58.84(15) . . . . ?
C11 C1 C2 Fe1 -133.8(2) . . . . ?
C13 P1 C2 C1 -127.80(19) . . . . ?
C19 P1 C2 C1 123.98(19) . . . . ?
Pt1 P1 C2 C1 1.2(2) . . . . ?
C13 P1 C2 C3 53.9(2) . . . . ?
C19 P1 C2 C3 -54.3(2) . . . . ?
Pt1 P1 C2 C3 -177.04(15) . . . . ?
C13 P1 C2 Fe1 -35.51(17) . . . . ?
C19 P1 C2 Fe1 -143.73(14) . . . . ?
Pt1 P1 C2 Fe1 93.53(13) . . . . ?
C3 Fe1 C2 C1 -118.89(17) . . . . ?
C5 Fe1 C2 C1 -37.55(13) . . . . ?
C4 Fe1 C2 C1 -81.28(13) . . . . ?
C6 Fe1 C2 C1 58.77(19) . . . . ?
C9 Fe1 C2 C1 -171.62(15) . . . . ?
C8 Fe1 C2 C1 146.53(13) . . . . ?
C7 Fe1 C2 C1 100.92(14) . . . . ?
C5 Fe1 C2 C3 81.34(13) . . . . ?
C4 Fe1 C2 C3 37.61(13) . . . . ?
C6 Fe1 C2 C3 177.67(15) . . . . ?
C9 Fe1 C2 C3 -52.73(19) . . . . ?
C8 Fe1 C2 C3 -94.58(14) . . . . ?
C1 Fe1 C2 C3 118.89(17) . . . . ?
C7 Fe1 C2 C3 -140.19(13) . . . . ?
C3 Fe1 C2 P1 119.4(2) . . . . ?
C5 Fe1 C2 P1 -159.29(18) . . . . ?
C4 Fe1 C2 P1 156.98(17) . . . . ?
C6 Fe1 C2 P1 -63.0(2) . . . . ?
C9 Fe1 C2 P1 66.6(2) . . . . ?
C8 Fe1 C2 P1 24.79(18) . . . . ?
C1 Fe1 C2 P1 -121.7(2) . . . . ?
C7 Fe1 C2 P1 -20.82(18) . . . . ?
C1 C2 C3 C4 -1.1(2) . . . . ?
P1 C2 C3 C4 177.44(16) . . . . ?
Fe1 C2 C3 C4 -60.36(15) . . . . ?
C1 C2 C3 Fe1 59.23(14) . . . . ?
P1 C2 C3 Fe1 -122.20(17) . . . . ?
C5 Fe1 C3 C4 37.10(13) . . . . ?
C10 Fe1 C3 C4 -56.00(18) . . . . ?
C2 Fe1 C3 C4 118.64(18) . . . . ?
C9 Fe1 C3 C4 -93.60(14) . . . . ?
C8 Fe1 C3 C4 -136.34(14) . . . . ?
C1 Fe1 C3 C4 80.56(14) . . . . ?
C7 Fe1 C3 C4 -171.53(15) . . . . ?
C5 Fe1 C3 C2 -81.54(13) . . . . ?
C10 Fe1 C3 C2 -174.64(13) . . . . ?
C4 Fe1 C3 C2 -118.64(18) . . . . ?
C9 Fe1 C3 C2 147.76(12) . . . . ?
C8 Fe1 C3 C2 105.02(13) . . . . ?
C1 Fe1 C3 C2 -38.08(12) . . . . ?
C7 Fe1 C3 C2 69.83(18) . . . . ?
C2 C3 C4 C5 1.4(2) . . . . ?
Fe1 C3 C4 C5 -58.66(15) . . . . ?
C2 C3 C4 Fe1 60.06(15) . . . . ?
C5 Fe1 C4 C3 -120.35(19) . . . . ?
C10 Fe1 C4 C3 142.03(14) . . . . ?
C6 Fe1 C4 C3 174.85(14) . . . . ?
C2 Fe1 C4 C3 -38.77(13) . . . . ?
C9 Fe1 C4 C3 99.78(14) . . . . ?
C8 Fe1 C4 C3 67.44(18) . . . . ?
C1 Fe1 C4 C3 -83.28(14) . . . . ?
C3 Fe1 C4 C5 120.35(19) . . . . ?
C10 Fe1 C4 C5 -97.62(15) . . . . ?
C6 Fe1 C4 C5 -64.80(18) . . . . ?
C2 Fe1 C4 C5 81.59(14) . . . . ?
C9 Fe1 C4 C5 -139.87(14) . . . . ?
C8 Fe1 C4 C5 -172.21(14) . . . . ?
C1 Fe1 C4 C5 37.07(13) . . . . ?
C3 C4 C5 C1 -1.1(2) . . . . ?
Fe1 C4 C5 C1 -59.50(15) . . . . ?
C3 C4 C5 Fe1 58.36(15) . . . . ?
C2 C1 C5 C4 0.4(2) . . . . ?
C11 C1 C5 C4 -168.32(19) . . . . ?
Fe1 C1 C5 C4 59.11(15) . . . . ?
C2 C1 C5 Fe1 -58.70(14) . . . . ?
C11 C1 C5 Fe1 132.6(2) . . . . ?
C3 Fe1 C5 C4 -36.93(14) . . . . ?
C10 Fe1 C5 C4 94.92(15) . . . . ?
C6 Fe1 C5 C4 137.72(14) . . . . ?
C2 Fe1 C5 C4 -81.85(14) . . . . ?
C9 Fe1 C5 C4 58.93(19) . . . . ?
C1 Fe1 C5 C4 -120.17(19) . . . . ?
C7 Fe1 C5 C4 171.21(15) . . . . ?
C3 Fe1 C5 C1 83.24(14) . . . . ?
C10 Fe1 C5 C1 -144.91(14) . . . . ?
C4 Fe1 C5 C1 120.17(19) . . . . ?
C6 Fe1 C5 C1 -102.11(15) . . . . ?
C2 Fe1 C5 C1 38.32(13) . . . . ?
C9 Fe1 C5 C1 179.10(14) . . . . ?
C7 Fe1 C5 C1 -68.6(2) . . . . ?
C5 Fe1 C6 C10 -92.25(15) . . . . ?
C4 Fe1 C6 C10 -53.25(19) . . . . ?
C2 Fe1 C6 C10 -173.89(15) . . . . ?
C9 Fe1 C6 C10 37.96(14) . . . . ?
C8 Fe1 C6 C10 81.32(15) . . . . ?
C1 Fe1 C6 C10 -135.96(14) . . . . ?
C7 Fe1 C6 C10 119.3(2) . . . . ?
C5 Fe1 C6 C7 148.42(13) . . . . ?
C10 Fe1 C6 C7 -119.3(2) . . . . ?
C4 Fe1 C6 C7 -172.58(14) . . . . ?
C2 Fe1 C6 C7 66.78(19) . . . . ?
C9 Fe1 C6 C7 -81.37(14) . . . . ?
C8 Fe1 C6 C7 -38.01(13) . . . . ?
C1 Fe1 C6 C7 104.71(14) . . . . ?
C10 C6 C7 C8 -0.1(2) . . . . ?
Fe1 C6 C7 C8 59.26(15) . . . . ?
C10 C6 C7 Fe1 -59.37(16) . . . . ?
C3 Fe1 C7 C6 173.74(15) . . . . ?
C5 Fe1 C7 C6 -52.5(2) . . . . ?
C10 Fe1 C7 C6 37.61(14) . . . . ?
C2 Fe1 C7 C6 -141.79(14) . . . . ?
C9 Fe1 C7 C6 81.40(15) . . . . ?
C8 Fe1 C7 C6 118.6(2) . . . . ?
C1 Fe1 C7 C6 -95.17(16) . . . . ?
C3 Fe1 C7 C8 55.2(2) . . . . ?
C5 Fe1 C7 C8 -171.10(15) . . . . ?
C10 Fe1 C7 C8 -80.99(15) . . . . ?
C6 Fe1 C7 C8 -118.6(2) . . . . ?
C2 Fe1 C7 C8 99.62(15) . . . . ?
C9 Fe1 C7 C8 -37.20(14) . . . . ?
C1 Fe1 C7 C8 146.24(14) . . . . ?
C6 C7 C8 C9 0.3(2) . . . . ?
Fe1 C7 C8 C9 59.41(15) . . . . ?
C6 C7 C8 Fe1 -59.07(15) . . . . ?
C3 Fe1 C8 C9 93.12(16) . . . . ?
C10 Fe1 C8 C9 -37.51(15) . . . . ?
C4 Fe1 C8 C9 52.9(2) . . . . ?
C6 Fe1 C8 C9 -81.43(16) . . . . ?
C2 Fe1 C8 C9 138.83(15) . . . . ?
C1 Fe1 C8 C9 179.04(16) . . . . ?
C7 Fe1 C8 C9 -119.5(2) . . . . ?
C3 Fe1 C8 C7 -147.40(14) . . . . ?
C10 Fe1 C8 C7 81.96(16) . . . . ?
C4 Fe1 C8 C7 172.32(15) . . . . ?
C6 Fe1 C8 C7 38.04(14) . . . . ?
C2 Fe1 C8 C7 -101.69(15) . . . . ?
C9 Fe1 C8 C7 119.5(2) . . . . ?
C1 Fe1 C8 C7 -61.5(2) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
Fe1 C8 C9 C10 59.16(15) . . . . ?
C7 C8 C9 Fe1 -59.60(15) . . . . ?
C3 Fe1 C9 C8 -102.45(15) . . . . ?
C5 Fe1 C9 C8 179.58(14) . . . . ?
C10 Fe1 C9 C8 119.6(2) . . . . ?
C4 Fe1 C9 C8 -144.87(15) . . . . ?
C6 Fe1 C9 C8 81.62(16) . . . . ?
C2 Fe1 C9 C8 -68.5(2) . . . . ?
C7 Fe1 C9 C8 37.65(14) . . . . ?
C3 Fe1 C9 C10 137.90(15) . . . . ?
C5 Fe1 C9 C10 59.9(2) . . . . ?
C4 Fe1 C9 C10 95.48(16) . . . . ?
C6 Fe1 C9 C10 -38.03(15) . . . . ?
C2 Fe1 C9 C10 171.87(15) . . . . ?
C8 Fe1 C9 C10 -119.6(2) . . . . ?
C7 Fe1 C9 C10 -82.00(16) . . . . ?
C8 C9 C10 C6 0.4(3) . . . . ?
Fe1 C9 C10 C6 59.93(16) . . . . ?
C8 C9 C10 Fe1 -59.57(16) . . . . ?
C7 C6 C10 C9 -0.1(3) . . . . ?
Fe1 C6 C10 C9 -60.00(16) . . . . ?
C7 C6 C10 Fe1 59.85(16) . . . . ?
C3 Fe1 C10 C9 -62.84(19) . . . . ?
C5 Fe1 C10 C9 -139.24(15) . . . . ?
C4 Fe1 C10 C9 -96.83(16) . . . . ?
C6 Fe1 C10 C9 118.6(2) . . . . ?
C8 Fe1 C10 C9 37.12(14) . . . . ?
C1 Fe1 C10 C9 -172.32(15) . . . . ?
C7 Fe1 C10 C9 80.98(15) . . . . ?
C3 Fe1 C10 C6 178.55(14) . . . . ?
C5 Fe1 C10 C6 102.16(15) . . . . ?
C4 Fe1 C10 C6 144.57(14) . . . . ?
C9 Fe1 C10 C6 -118.6(2) . . . . ?
C8 Fe1 C10 C6 -81.49(15) . . . . ?
C1 Fe1 C10 C6 69.07(19) . . . . ?
C7 Fe1 C10 C6 -37.63(14) . . . . ?
C5 C1 C11 C12 72.9(3) . . . . ?
C2 C1 C11 C12 -93.0(3) . . . . ?
Fe1 C1 C11 C12 165.03(19) . . . . ?
C5 C1 C11 P2 -161.22(17) . . . . ?
C2 C1 C11 P2 32.9(3) . . . . ?
Fe1 C1 C11 P2 -69.1(3) . . . . ?
C28 P2 C11 C1 79.96(18) . . . . ?
C20 P2 C11 C1 -168.09(16) . . . . ?
Pt1 P2 C11 C1 -43.38(18) . . . . ?
C28 P2 C11 C12 -155.91(16) . . . . ?
C20 P2 C11 C12 -43.95(18) . . . . ?
Pt1 P2 C11 C12 80.76(16) . . . . ?
C2 P1 C13 C18 104.13(19) . . . . ?
C19 P1 C13 C18 -149.79(18) . . . . ?
Pt1 P1 C13 C18 -29.1(2) . . . . ?
C2 P1 C13 C14 -71.4(2) . . . . ?
C19 P1 C13 C14 34.7(2) . . . . ?
Pt1 P1 C13 C14 155.38(18) . . . . ?
C18 C13 C14 C15 -0.7(4) . . . . ?
P1 C13 C14 C15 174.68(19) . . . . ?
C13 C14 C15 C16 -0.5(4) . . . . ?
C14 C15 C16 C17 1.1(4) . . . . ?
C15 C16 C17 C18 -0.4(4) . . . . ?
C14 C13 C18 C17 1.4(4) . . . . ?
P1 C13 C18 C17 -174.28(19) . . . . ?
C16 C17 C18 C13 -0.9(4) . . . . ?
C2 P1 C19 F2 154.80(16) . . . . ?
C13 P1 C19 F2 43.71(18) . . . . ?
Pt1 P1 C19 F2 -77.20(16) . . . . ?
C2 P1 C19 F1 33.18(19) . . . . ?
C13 P1 C19 F1 -77.91(18) . . . . ?
Pt1 P1 C19 F1 161.18(14) . . . . ?
C2 P1 C19 F3 -85.22(17) . . . . ?
C13 P1 C19 F3 163.69(16) . . . . ?
Pt1 P1 C19 F3 42.78(18) . . . . ?
C28 P2 C20 C27 17.9(2) . . . . ?
C11 P2 C20 C27 -94.2(2) . . . . ?
Pt1 P2 C20 C27 138.17(17) . . . . ?
C28 P2 C20 C21 -162.92(17) . . . . ?
C11 P2 C20 C21 84.98(19) . . . . ?
Pt1 P2 C20 C21 -42.63(19) . . . . ?
C27 C20 C21 C22 0.4(3) . . . . ?
P2 C20 C21 C22 -178.80(17) . . . . ?
C20 C21 C22 C24 -1.2(3) . . . . ?
C20 C21 C22 C23 179.8(2) . . . . ?
C21 C22 C24 C25 1.2(3) . . . . ?
C23 C22 C24 C25 -179.8(2) . . . . ?
C22 C24 C25 C27 -0.4(4) . . . . ?
C22 C24 C25 C26 -178.5(2) . . . . ?
C21 C20 C27 C25 0.4(3) . . . . ?
P2 C20 C27 C25 179.64(18) . . . . ?
C24 C25 C27 C20 -0.5(3) . . . . ?
C26 C25 C27 C20 177.7(2) . . . . ?
C20 P2 C28 C35 108.86(18) . . . . ?
C11 P2 C28 C35 -141.70(18) . . . . ?
Pt1 P2 C28 C35 -13.6(2) . . . . ?
C20 P2 C28 C29 -73.9(2) . . . . ?
C11 P2 C28 C29 35.5(2) . . . . ?
Pt1 P2 C28 C29 163.63(17) . . . . ?
C35 C28 C29 C30 -0.3(3) . . . . ?
P2 C28 C29 C30 -177.48(17) . . . . ?
C28 C29 C30 C32 2.3(3) . . . . ?
C28 C29 C30 C31 178.7(2) . . . . ?
C29 C30 C32 C33 -1.4(3) . . . . ?
C31 C30 C32 C33 -177.8(2) . . . . ?
C30 C32 C33 C35 -1.5(3) . . . . ?
C30 C32 C33 C34 173.7(2) . . . . ?
C32 C33 C35 C28 3.6(3) . . . . ?
C34 C33 C35 C28 -171.7(2) . . . . ?
C29 C28 C35 C33 -2.7(3) . . . . ?
P2 C28 C35 C33 174.59(17) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        28.28
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.351
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.077
####################################################################### 
# 
# 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_ris207
_database_code_depnum_ccdc_archive 'CCDC 1000085'
_audit_update_record             
;
2014-04-29 deposited with the CCDC.
2015-06-29 downloaded from the CCDC.
;

# This structure was measured,
# solved and refined by:
# Rino Schwenk

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          'not measured'
_chemical_properties_physical    air-sensitive
_chemical_formula_moiety         'C35 H35 Cl2 F3 Fe P2 Pt, C H Cl3'
_chemical_formula_sum            'C36 H36 Cl5 F3 Fe P2 Pt'
_chemical_formula_weight         1015.78
_chemical_absolute_configuration syn

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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)
_symmetry_int_tables_number      19

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   13.2440(13)
_cell_length_b                   15.1859(15)
_cell_length_c                   19.4380(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3909.4(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9908
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      23.76

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method pentane/CDCl3
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1992
_exptl_absorpt_coefficient_mu    4.409
_exptl_absorpt_correction_type   'Multi Scan'
_exptl_absorpt_correction_T_min  0.4637
_exptl_absorpt_correction_T_max  0.5176
_exptl_absorpt_process_details   SADABS-2004/1

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            76343
_diffrn_reflns_av_R_equivalents  0.0792
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         27.56
_reflns_number_total             9011
_reflns_number_gt                8145
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0390P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     patterson
_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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.007(5)
_refine_ls_number_reflns         9011
_refine_ls_number_parameters     438
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0785
_refine_ls_wR_factor_gt          0.0756
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.014
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.087987(15) 0.405934(12) 0.761119(10) 0.01714(5) Uani 1 1 d . . .
Fe1 Fe 0.17007(7) 0.50317(6) 0.62322(4) 0.02328(19) Uani 1 1 d . . .
Cl1 Cl -0.09563(12) 0.35791(8) 0.87522(7) 0.0243(3) Uani 1 1 d . . .
Cl2 Cl -0.19867(10) 0.28989(8) 0.73206(8) 0.0265(3) Uani 1 1 d . . .
P1 P -0.08042(12) 0.44326(9) 0.65119(7) 0.0201(3) Uani 1 1 d . . .
P2 P 0.00201(11) 0.52012(8) 0.79961(7) 0.0162(3) Uani 1 1 d . . .
F1 F 0.0098(3) 0.2887(2) 0.62862(18) 0.0302(8) Uani 1 1 d . . .
F2 F -0.1396(3) 0.2943(2) 0.58541(18) 0.0340(9) Uani 1 1 d . . .
F3 F -0.0172(3) 0.3595(2) 0.53518(17) 0.0380(9) Uani 1 1 d . . .
C1 C 0.0627(4) 0.5812(3) 0.6687(3) 0.0192(11) Uani 1 1 d . . .
C2 C 0.0176(5) 0.5162(4) 0.6239(3) 0.0229(13) Uani 1 1 d . . .
C3 C 0.0573(5) 0.5319(4) 0.5560(3) 0.0251(14) Uani 1 1 d . . .
H3 H 0.0404 0.4983 0.5145 0.030 Uiso 1 1 calc R . .
C4 C 0.1252(5) 0.6028(4) 0.5594(3) 0.0296(13) Uani 1 1 d . . .
H4 H 0.1642 0.6269 0.5209 0.036 Uiso 1 1 calc R . .
C5 C 0.1285(5) 0.6328(4) 0.6283(3) 0.0242(12) Uani 1 1 d . . .
H5 H 0.1709 0.6810 0.6454 0.029 Uiso 1 1 calc R . .
C6 C 0.2788(5) 0.4599(4) 0.6908(3) 0.0312(14) Uani 1 1 d . . .
H6 H 0.2864 0.4791 0.7387 0.037 Uiso 1 1 calc R . .
C7 C 0.2194(5) 0.3881(4) 0.6680(3) 0.0319(15) Uani 1 1 d . . .
H7 H 0.1794 0.3485 0.6971 0.038 Uiso 1 1 calc R . .
C8 C 0.2280(5) 0.3845(4) 0.5951(4) 0.0375(17) Uani 1 1 d . . .
H8 H 0.1953 0.3413 0.5649 0.045 Uiso 1 1 calc R . .
C9 C 0.2933(6) 0.4540(5) 0.5734(4) 0.045(2) Uani 1 1 d . . .
H9 H 0.3134 0.4669 0.5259 0.054 Uiso 1 1 calc R . .
C10 C 0.3236(5) 0.5007(5) 0.6327(4) 0.0376(16) Uani 1 1 d . . .
H10 H 0.3681 0.5522 0.6336 0.045 Uiso 1 1 calc R . .
C11 C 0.0256(4) 0.6104(3) 0.7380(3) 0.0167(10) Uani 1 1 d . . .
H11 H 0.0781 0.6480 0.7579 0.020 Uiso 1 1 calc R . .
C12 C -0.0682(4) 0.6691(3) 0.7256(3) 0.0240(13) Uani 1 1 d . . .
H12A H -0.0517 0.7144 0.6929 0.036 Uiso 1 1 calc R . .
H12B H -0.0886 0.6957 0.7682 0.036 Uiso 1 1 calc R . .
H12C H -0.1224 0.6338 0.7079 0.036 Uiso 1 1 calc R . .
C13 C -0.0566(5) 0.3412(4) 0.5981(3) 0.0286(15) Uani 1 1 d . . .
C14 C -0.1959(5) 0.4885(4) 0.6164(3) 0.0269(14) Uani 1 1 d . . .
C15 C -0.1995(6) 0.5230(5) 0.5500(4) 0.0420(18) Uani 1 1 d . . .
H15 H -0.1432 0.5206 0.5215 0.050 Uiso 1 1 calc R . .
C16 C -0.2894(6) 0.5612(5) 0.5273(4) 0.048(2) Uani 1 1 d . . .
H16 H -0.2925 0.5847 0.4831 0.057 Uiso 1 1 calc R . .
C17 C -0.3711(6) 0.5647(5) 0.5677(5) 0.056(2) Uani 1 1 d . . .
H17 H -0.4299 0.5907 0.5513 0.067 Uiso 1 1 calc R . .
C18 C -0.3692(6) 0.5299(5) 0.6334(5) 0.052(2) Uani 1 1 d . . .
H18 H -0.4262 0.5328 0.6613 0.062 Uiso 1 1 calc R . .
C19 C -0.2812(5) 0.4906(4) 0.6575(4) 0.0386(17) Uani 1 1 d . . .
H19 H -0.2797 0.4657 0.7012 0.046 Uiso 1 1 calc R . .
C20 C -0.0685(4) 0.5716(3) 0.8690(3) 0.0209(12) Uani 1 1 d . . .
C21 C -0.1694(4) 0.5889(4) 0.8576(3) 0.0240(11) Uani 1 1 d . . .
H21 H -0.1992 0.5705 0.8167 0.029 Uiso 1 1 calc R . .
C22 C -0.2270(5) 0.6333(4) 0.9061(3) 0.0296(14) Uani 1 1 d . . .
C23 C -0.3372(5) 0.6546(5) 0.8922(4) 0.0412(17) Uani 1 1 d . . .
H23A H -0.3526 0.6422 0.8449 0.062 Uiso 1 1 calc R . .
H23B H -0.3492 0.7158 0.9014 0.062 Uiso 1 1 calc R . .
H23C H -0.3793 0.6193 0.9215 0.062 Uiso 1 1 calc R . .
C24 C -0.1816(5) 0.6579(4) 0.9671(3) 0.0279(14) Uani 1 1 d . . .
H24 H -0.2195 0.6879 0.9999 0.034 Uiso 1 1 calc R . .
C25 C -0.0825(5) 0.6394(3) 0.9808(3) 0.0264(12) Uani 1 1 d . . .
C26 C -0.0350(6) 0.6645(4) 1.0491(3) 0.0356(16) Uani 1 1 d . . .
H26A H -0.0061 0.7223 1.0456 0.053 Uiso 1 1 calc R . .
H26B H 0.0168 0.6229 1.0605 0.053 Uiso 1 1 calc R . .
H26C H -0.0858 0.6643 1.0843 0.053 Uiso 1 1 calc R . .
C27 C -0.0246(4) 0.5966(4) 0.9313(3) 0.0210(11) Uani 1 1 d . . .
H27 H 0.0432 0.5848 0.9397 0.025 Uiso 1 1 calc R . .
C28 C 0.1264(4) 0.4929(3) 0.8334(3) 0.0184(11) Uani 1 1 d . . .
C29 C 0.1542(4) 0.4071(4) 0.8433(3) 0.0221(11) Uani 1 1 d . . .
H29 H 0.1085 0.3625 0.8329 0.027 Uiso 1 1 calc R . .
C30 C 0.2497(5) 0.3849(4) 0.8685(3) 0.0230(13) Uani 1 1 d . . .
C31 C 0.2791(5) 0.2907(4) 0.8781(4) 0.0367(16) Uani 1 1 d . . .
H31A H 0.2329 0.2629 0.9093 0.055 Uiso 1 1 calc R . .
H31B H 0.3463 0.2877 0.8966 0.055 Uiso 1 1 calc R . .
H31C H 0.2772 0.2609 0.8346 0.055 Uiso 1 1 calc R . .
C32 C 0.3164(5) 0.4537(4) 0.8831(3) 0.0272(13) Uani 1 1 d . . .
H32 H 0.3807 0.4403 0.8993 0.033 Uiso 1 1 calc R . .
C33 C 0.2896(4) 0.5416(4) 0.8742(3) 0.0229(12) Uani 1 1 d . . .
C34 C 0.3631(5) 0.6155(4) 0.8900(3) 0.0325(15) Uani 1 1 d . . .
H34A H 0.3525 0.6630 0.8583 0.049 Uiso 1 1 calc R . .
H34B H 0.4310 0.5941 0.8856 0.049 Uiso 1 1 calc R . .
H34C H 0.3523 0.6360 0.9361 0.049 Uiso 1 1 calc R . .
C35 C 0.1940(4) 0.5608(4) 0.8492(3) 0.0219(12) Uani 1 1 d . . .
H35 H 0.1747 0.6191 0.8430 0.026 Uiso 1 1 calc R . .
Cl3 Cl 0.8941(2) 0.5764(2) 0.3581(2) 0.1180(12) Uani 1 1 d . . .
Cl4 Cl 0.9531(3) 0.7464(3) 0.2994(2) 0.165(2) Uani 1 1 d . . .
Cl5 Cl 0.8986(3) 0.7297(3) 0.4413(2) 0.1372(15) Uani 1 1 d . . .
C36 C 0.8748(8) 0.6883(7) 0.3574(6) 0.087(4) Uani 1 1 d . . .
H36 H 0.8041 0.6999 0.3456 0.105 Uiso 1 1 calc R . .


_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 P1 2.2131(14) . ?
Pt1 P2 2.2332(13) . ?
Pt1 Cl1 2.3368(13) . ?
Pt1 Cl2 2.3607(13) . ?
Fe1 C2 2.030(6) . ?
Fe1 C3 2.032(6) . ?
Fe1 C8 2.034(6) . ?
Fe1 C9 2.040(6) . ?
Fe1 C10 2.042(7) . ?
Fe1 C4 2.045(6) . ?
Fe1 C5 2.047(6) . ?
Fe1 C1 2.051(5) . ?
Fe1 C6 2.058(6) . ?
Fe1 C7 2.059(6) . ?
P1 C2 1.787(6) . ?
P1 C14 1.807(6) . ?
P1 C13 1.889(6) . ?
P2 C20 1.818(6) . ?
P2 C28 1.821(6) . ?
P2 C11 1.848(5) . ?
F1 C13 1.327(7) . ?
F2 C13 1.333(7) . ?
F3 C13 1.357(7) . ?
C1 C5 1.411(8) . ?
C1 C2 1.445(8) . ?
C1 C11 1.501(7) . ?
C2 C3 1.441(8) . ?
C3 C4 1.405(8) . ?
C4 C5 1.414(8) . ?
C6 C7 1.416(9) . ?
C6 C10 1.418(9) . ?
C7 C8 1.424(9) . ?
C8 C9 1.428(11) . ?
C9 C10 1.412(10) . ?
C11 C12 1.548(7) . ?
C14 C19 1.384(9) . ?
C14 C15 1.394(9) . ?
C15 C16 1.396(9) . ?
C16 C17 1.339(11) . ?
C17 C18 1.384(12) . ?
C18 C19 1.390(9) . ?
C20 C21 1.380(8) . ?
C20 C27 1.395(8) . ?
C21 C22 1.389(8) . ?
C22 C24 1.381(9) . ?
C22 C23 1.518(9) . ?
C24 C25 1.369(9) . ?
C25 C27 1.390(7) . ?
C25 C26 1.517(8) . ?
C28 C29 1.367(8) . ?
C28 C35 1.400(8) . ?
C29 C30 1.398(8) . ?
C30 C32 1.397(8) . ?
C30 C31 1.495(8) . ?
C32 C33 1.393(8) . ?
C33 C35 1.388(8) . ?
C33 C34 1.516(8) . ?
Cl3 C36 1.719(11) . ?
Cl4 C36 1.768(11) . ?
Cl5 C36 1.775(12) . ?

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
P1 Pt1 P2 95.77(5) . . ?
P1 Pt1 Cl1 176.66(5) . . ?
P2 Pt1 Cl1 86.99(5) . . ?
P1 Pt1 Cl2 89.33(5) . . ?
P2 Pt1 Cl2 172.38(5) . . ?
Cl1 Pt1 Cl2 88.12(5) . . ?
C2 Fe1 C3 41.5(2) . . ?
C2 Fe1 C8 117.6(3) . . ?
C3 Fe1 C8 107.1(3) . . ?
C2 Fe1 C9 146.6(3) . . ?
C3 Fe1 C9 111.2(3) . . ?
C8 Fe1 C9 41.0(3) . . ?
C2 Fe1 C10 172.8(3) . . ?
C3 Fe1 C10 142.6(3) . . ?
C8 Fe1 C10 68.4(3) . . ?
C9 Fe1 C10 40.5(3) . . ?
C2 Fe1 C4 69.1(2) . . ?
C3 Fe1 C4 40.3(2) . . ?
C8 Fe1 C4 127.0(3) . . ?
C9 Fe1 C4 102.5(3) . . ?
C10 Fe1 C4 111.0(3) . . ?
C2 Fe1 C5 68.8(2) . . ?
C3 Fe1 C5 68.1(2) . . ?
C8 Fe1 C5 165.2(3) . . ?
C9 Fe1 C5 126.2(3) . . ?
C10 Fe1 C5 106.3(3) . . ?
C4 Fe1 C5 40.4(2) . . ?
C2 Fe1 C1 41.5(2) . . ?
C3 Fe1 C1 69.1(2) . . ?
C8 Fe1 C1 152.8(3) . . ?
C9 Fe1 C1 166.2(3) . . ?
C10 Fe1 C1 131.5(3) . . ?
C4 Fe1 C1 68.4(2) . . ?
C5 Fe1 C1 40.3(2) . . ?
C2 Fe1 C6 136.4(3) . . ?
C3 Fe1 C6 173.7(3) . . ?
C8 Fe1 C6 68.0(3) . . ?
C9 Fe1 C6 68.0(3) . . ?
C10 Fe1 C6 40.5(3) . . ?
C4 Fe1 C6 145.8(3) . . ?
C5 Fe1 C6 117.7(2) . . ?
C1 Fe1 C6 113.2(2) . . ?
C2 Fe1 C7 113.3(3) . . ?
C3 Fe1 C7 133.4(2) . . ?
C8 Fe1 C7 40.7(3) . . ?
C9 Fe1 C7 68.7(3) . . ?
C10 Fe1 C7 68.3(3) . . ?
C4 Fe1 C7 167.7(2) . . ?
C5 Fe1 C7 151.8(2) . . ?
C1 Fe1 C7 121.9(2) . . ?
C6 Fe1 C7 40.2(2) . . ?
C2 P1 C14 105.5(3) . . ?
C2 P1 C13 103.0(3) . . ?
C14 P1 C13 104.4(3) . . ?
C2 P1 Pt1 118.6(2) . . ?
C14 P1 Pt1 114.8(2) . . ?
C13 P1 Pt1 108.99(19) . . ?
C20 P2 C28 107.1(2) . . ?
C20 P2 C11 104.4(2) . . ?
C28 P2 C11 104.5(2) . . ?
C20 P2 Pt1 107.96(17) . . ?
C28 P2 Pt1 115.29(18) . . ?
C11 P2 Pt1 116.70(17) . . ?
C5 C1 C2 107.4(5) . . ?
C5 C1 C11 122.5(5) . . ?
C2 C1 C11 127.4(5) . . ?
C5 C1 Fe1 69.7(3) . . ?
C2 C1 Fe1 68.5(3) . . ?
C11 C1 Fe1 141.7(4) . . ?
C3 C2 C1 106.8(5) . . ?
C3 C2 P1 129.7(5) . . ?
C1 C2 P1 123.0(4) . . ?
C3 C2 Fe1 69.3(3) . . ?
C1 C2 Fe1 70.1(3) . . ?
P1 C2 Fe1 131.6(3) . . ?
C4 C3 C2 108.5(5) . . ?
C4 C3 Fe1 70.3(3) . . ?
C2 C3 Fe1 69.1(3) . . ?
C3 C4 C5 108.1(5) . . ?
C3 C4 Fe1 69.4(3) . . ?
C5 C4 Fe1 69.9(3) . . ?
C1 C5 C4 109.2(5) . . ?
C1 C5 Fe1 70.0(3) . . ?
C4 C5 Fe1 69.7(3) . . ?
C7 C6 C10 108.6(6) . . ?
C7 C6 Fe1 69.9(3) . . ?
C10 C6 Fe1 69.2(4) . . ?
C6 C7 C8 107.3(6) . . ?
C6 C7 Fe1 69.8(4) . . ?
C8 C7 Fe1 68.7(4) . . ?
C7 C8 C9 108.3(6) . . ?
C7 C8 Fe1 70.6(3) . . ?
C9 C8 Fe1 69.7(4) . . ?
C10 C9 C8 107.6(6) . . ?
C10 C9 Fe1 69.8(4) . . ?
C8 C9 Fe1 69.3(4) . . ?
C9 C10 C6 108.2(6) . . ?
C9 C10 Fe1 69.7(4) . . ?
C6 C10 Fe1 70.4(4) . . ?
C1 C11 C12 107.1(4) . . ?
C1 C11 P2 114.7(3) . . ?
C12 C11 P2 113.1(3) . . ?
F1 C13 F2 108.0(5) . . ?
F1 C13 F3 105.8(5) . . ?
F2 C13 F3 105.1(5) . . ?
F1 C13 P1 111.0(4) . . ?
F2 C13 P1 113.6(4) . . ?
F3 C13 P1 112.9(4) . . ?
C19 C14 C15 119.8(6) . . ?
C19 C14 P1 119.0(5) . . ?
C15 C14 P1 121.2(5) . . ?
C16 C15 C14 118.7(7) . . ?
C17 C16 C15 121.3(8) . . ?
C16 C17 C18 120.8(7) . . ?
C17 C18 C19 119.3(8) . . ?
C14 C19 C18 120.1(7) . . ?
C21 C20 C27 119.4(5) . . ?
C21 C20 P2 117.4(4) . . ?
C27 C20 P2 123.2(4) . . ?
C20 C21 C22 121.0(5) . . ?
C24 C22 C21 118.4(6) . . ?
C24 C22 C23 120.9(6) . . ?
C21 C22 C23 120.7(6) . . ?
C25 C24 C22 121.9(6) . . ?
C24 C25 C27 119.3(5) . . ?
C24 C25 C26 121.0(5) . . ?
C27 C25 C26 119.6(6) . . ?
C25 C27 C20 119.9(5) . . ?
C29 C28 C35 119.9(5) . . ?
C29 C28 P2 120.7(4) . . ?
C35 C28 P2 119.4(4) . . ?
C28 C29 C30 121.5(5) . . ?
C32 C30 C29 117.6(5) . . ?
C32 C30 C31 121.7(6) . . ?
C29 C30 C31 120.7(6) . . ?
C33 C32 C30 122.1(5) . . ?
C35 C33 C32 118.5(5) . . ?
C35 C33 C34 120.1(5) . . ?
C32 C33 C34 121.4(5) . . ?
C33 C35 C28 120.4(5) . . ?
Cl3 C36 Cl4 114.2(7) . . ?
Cl3 C36 Cl5 108.4(6) . . ?
Cl4 C36 Cl5 107.8(6) . . ?

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
P2 Pt1 P1 C2 20.6(2) . . . . ?
Cl2 Pt1 P1 C2 -165.0(2) . . . . ?
P2 Pt1 P1 C14 -105.4(2) . . . . ?
Cl2 Pt1 P1 C14 68.9(2) . . . . ?
P2 Pt1 P1 C13 137.9(2) . . . . ?
Cl2 Pt1 P1 C13 -47.8(2) . . . . ?
P1 Pt1 P2 C20 129.28(19) . . . . ?
Cl1 Pt1 P2 C20 -52.6(2) . . . . ?
P1 Pt1 P2 C28 -111.0(2) . . . . ?
Cl1 Pt1 P2 C28 67.1(2) . . . . ?
P1 Pt1 P2 C11 12.13(18) . . . . ?
Cl1 Pt1 P2 C11 -169.78(18) . . . . ?
C2 Fe1 C1 C5 -119.3(5) . . . . ?
C3 Fe1 C1 C5 -80.3(4) . . . . ?
C8 Fe1 C1 C5 -167.3(5) . . . . ?
C9 Fe1 C1 C5 13.6(12) . . . . ?
C10 Fe1 C1 C5 62.5(5) . . . . ?
C4 Fe1 C1 C5 -36.9(3) . . . . ?
C6 Fe1 C1 C5 106.0(4) . . . . ?
C7 Fe1 C1 C5 150.7(3) . . . . ?
C3 Fe1 C1 C2 38.9(3) . . . . ?
C8 Fe1 C1 C2 -48.0(7) . . . . ?
C9 Fe1 C1 C2 132.9(10) . . . . ?
C10 Fe1 C1 C2 -178.2(4) . . . . ?
C4 Fe1 C1 C2 82.3(4) . . . . ?
C5 Fe1 C1 C2 119.3(5) . . . . ?
C6 Fe1 C1 C2 -134.7(4) . . . . ?
C7 Fe1 C1 C2 -90.1(4) . . . . ?
C2 Fe1 C1 C11 123.6(7) . . . . ?
C3 Fe1 C1 C11 162.6(7) . . . . ?
C8 Fe1 C1 C11 75.6(8) . . . . ?
C9 Fe1 C1 C11 -103.5(11) . . . . ?
C10 Fe1 C1 C11 -54.6(7) . . . . ?
C4 Fe1 C1 C11 -154.0(7) . . . . ?
C5 Fe1 C1 C11 -117.1(7) . . . . ?
C6 Fe1 C1 C11 -11.1(7) . . . . ?
C7 Fe1 C1 C11 33.6(7) . . . . ?
C5 C1 C2 C3 -0.9(6) . . . . ?
C11 C1 C2 C3 160.6(5) . . . . ?
Fe1 C1 C2 C3 -59.9(4) . . . . ?
C5 C1 C2 P1 -173.6(4) . . . . ?
C11 C1 C2 P1 -12.1(8) . . . . ?
Fe1 C1 C2 P1 127.3(5) . . . . ?
C5 C1 C2 Fe1 59.0(4) . . . . ?
C11 C1 C2 Fe1 -139.5(5) . . . . ?
C14 P1 C2 C3 -68.8(6) . . . . ?
C13 P1 C2 C3 40.4(6) . . . . ?
Pt1 P1 C2 C3 160.8(5) . . . . ?
C14 P1 C2 C1 102.1(5) . . . . ?
C13 P1 C2 C1 -148.6(5) . . . . ?
Pt1 P1 C2 C1 -28.2(6) . . . . ?
C14 P1 C2 Fe1 -166.0(4) . . . . ?
C13 P1 C2 Fe1 -56.7(5) . . . . ?
Pt1 P1 C2 Fe1 63.7(5) . . . . ?
C8 Fe1 C2 C3 -84.9(4) . . . . ?
C9 Fe1 C2 C3 -43.7(6) . . . . ?
C4 Fe1 C2 C3 37.0(3) . . . . ?
C5 Fe1 C2 C3 80.5(4) . . . . ?
C1 Fe1 C2 C3 117.7(5) . . . . ?
C6 Fe1 C2 C3 -171.2(4) . . . . ?
C7 Fe1 C2 C3 -130.0(4) . . . . ?
C3 Fe1 C2 C1 -117.7(5) . . . . ?
C8 Fe1 C2 C1 157.4(3) . . . . ?
C9 Fe1 C2 C1 -161.4(5) . . . . ?
C4 Fe1 C2 C1 -80.7(3) . . . . ?
C5 Fe1 C2 C1 -37.2(3) . . . . ?
C6 Fe1 C2 C1 71.1(5) . . . . ?
C7 Fe1 C2 C1 112.3(3) . . . . ?
C3 Fe1 C2 P1 125.4(6) . . . . ?
C8 Fe1 C2 P1 40.5(5) . . . . ?
C9 Fe1 C2 P1 81.6(7) . . . . ?
C4 Fe1 C2 P1 162.4(5) . . . . ?
C5 Fe1 C2 P1 -154.2(5) . . . . ?
C1 Fe1 C2 P1 -116.9(6) . . . . ?
C6 Fe1 C2 P1 -45.8(6) . . . . ?
C7 Fe1 C2 P1 -4.6(5) . . . . ?
C1 C2 C3 C4 0.9(7) . . . . ?
P1 C2 C3 C4 173.0(5) . . . . ?
Fe1 C2 C3 C4 -59.5(4) . . . . ?
C1 C2 C3 Fe1 60.4(4) . . . . ?
P1 C2 C3 Fe1 -127.5(5) . . . . ?
C2 Fe1 C3 C4 119.8(5) . . . . ?
C8 Fe1 C3 C4 -127.6(4) . . . . ?
C9 Fe1 C3 C4 -84.3(4) . . . . ?
C10 Fe1 C3 C4 -50.9(6) . . . . ?
C5 Fe1 C3 C4 37.5(3) . . . . ?
C1 Fe1 C3 C4 80.9(4) . . . . ?
C7 Fe1 C3 C4 -164.5(4) . . . . ?
C8 Fe1 C3 C2 112.6(4) . . . . ?
C9 Fe1 C3 C2 155.9(4) . . . . ?
C10 Fe1 C3 C2 -170.7(4) . . . . ?
C4 Fe1 C3 C2 -119.8(5) . . . . ?
C5 Fe1 C3 C2 -82.3(4) . . . . ?
C1 Fe1 C3 C2 -38.9(3) . . . . ?
C7 Fe1 C3 C2 75.7(5) . . . . ?
C2 C3 C4 C5 -0.6(7) . . . . ?
Fe1 C3 C4 C5 -59.3(4) . . . . ?
C2 C3 C4 Fe1 58.8(4) . . . . ?
C2 Fe1 C4 C3 -38.1(3) . . . . ?
C8 Fe1 C4 C3 71.4(5) . . . . ?
C9 Fe1 C4 C3 108.2(4) . . . . ?
C10 Fe1 C4 C3 149.6(4) . . . . ?
C5 Fe1 C4 C3 -119.5(5) . . . . ?
C1 Fe1 C4 C3 -82.7(4) . . . . ?
C6 Fe1 C4 C3 177.3(4) . . . . ?
C7 Fe1 C4 C3 65.6(13) . . . . ?
C2 Fe1 C4 C5 81.4(4) . . . . ?
C3 Fe1 C4 C5 119.5(5) . . . . ?
C8 Fe1 C4 C5 -169.1(4) . . . . ?
C9 Fe1 C4 C5 -132.3(4) . . . . ?
C10 Fe1 C4 C5 -90.9(4) . . . . ?
C1 Fe1 C4 C5 36.8(3) . . . . ?
C6 Fe1 C4 C5 -63.2(5) . . . . ?
C7 Fe1 C4 C5 -174.9(11) . . . . ?
C2 C1 C5 C4 0.6(6) . . . . ?
C11 C1 C5 C4 -162.1(5) . . . . ?
Fe1 C1 C5 C4 58.8(4) . . . . ?
C2 C1 C5 Fe1 -58.3(4) . . . . ?
C11 C1 C5 Fe1 139.1(5) . . . . ?
C3 C4 C5 C1 0.0(7) . . . . ?
Fe1 C4 C5 C1 -59.0(4) . . . . ?
C3 C4 C5 Fe1 59.0(4) . . . . ?
C2 Fe1 C5 C1 38.3(3) . . . . ?
C3 Fe1 C5 C1 83.1(3) . . . . ?
C8 Fe1 C5 C1 156.9(10) . . . . ?
C9 Fe1 C5 C1 -176.0(4) . . . . ?
C10 Fe1 C5 C1 -136.2(4) . . . . ?
C4 Fe1 C5 C1 120.5(5) . . . . ?
C6 Fe1 C5 C1 -94.0(4) . . . . ?
C7 Fe1 C5 C1 -61.8(6) . . . . ?
C2 Fe1 C5 C4 -82.2(4) . . . . ?
C3 Fe1 C5 C4 -37.4(4) . . . . ?
C8 Fe1 C5 C4 36.3(12) . . . . ?
C9 Fe1 C5 C4 63.5(5) . . . . ?
C10 Fe1 C5 C4 103.3(4) . . . . ?
C1 Fe1 C5 C4 -120.5(5) . . . . ?
C6 Fe1 C5 C4 145.5(4) . . . . ?
C7 Fe1 C5 C4 177.7(5) . . . . ?
C2 Fe1 C6 C7 69.5(5) . . . . ?
C8 Fe1 C6 C7 -38.0(4) . . . . ?
C9 Fe1 C6 C7 -82.5(4) . . . . ?
C10 Fe1 C6 C7 -120.2(5) . . . . ?
C4 Fe1 C6 C7 -162.1(4) . . . . ?
C5 Fe1 C6 C7 157.0(4) . . . . ?
C1 Fe1 C6 C7 112.5(4) . . . . ?
C2 Fe1 C6 C10 -170.4(4) . . . . ?
C8 Fe1 C6 C10 82.1(4) . . . . ?
C9 Fe1 C6 C10 37.7(4) . . . . ?
C4 Fe1 C6 C10 -42.0(6) . . . . ?
C5 Fe1 C6 C10 -82.8(4) . . . . ?
C1 Fe1 C6 C10 -127.4(4) . . . . ?
C7 Fe1 C6 C10 120.2(5) . . . . ?
C10 C6 C7 C8 0.2(7) . . . . ?
Fe1 C6 C7 C8 58.7(4) . . . . ?
C10 C6 C7 Fe1 -58.5(4) . . . . ?
C2 Fe1 C7 C6 -135.3(4) . . . . ?
C3 Fe1 C7 C6 -179.7(4) . . . . ?
C8 Fe1 C7 C6 118.9(6) . . . . ?
C9 Fe1 C7 C6 80.8(4) . . . . ?
C10 Fe1 C7 C6 37.2(4) . . . . ?
C4 Fe1 C7 C6 126.0(11) . . . . ?
C5 Fe1 C7 C6 -47.0(7) . . . . ?
C1 Fe1 C7 C6 -89.1(4) . . . . ?
C2 Fe1 C7 C8 105.9(4) . . . . ?
C3 Fe1 C7 C8 61.4(5) . . . . ?
C9 Fe1 C7 C8 -38.1(4) . . . . ?
C10 Fe1 C7 C8 -81.7(4) . . . . ?
C4 Fe1 C7 C8 7.2(14) . . . . ?
C5 Fe1 C7 C8 -165.9(5) . . . . ?
C1 Fe1 C7 C8 152.0(4) . . . . ?
C6 Fe1 C7 C8 -118.9(6) . . . . ?
C6 C7 C8 C9 0.3(7) . . . . ?
Fe1 C7 C8 C9 59.7(4) . . . . ?
C6 C7 C8 Fe1 -59.4(4) . . . . ?
C2 Fe1 C8 C7 -94.4(4) . . . . ?
C3 Fe1 C8 C7 -138.1(4) . . . . ?
C9 Fe1 C8 C7 119.0(6) . . . . ?
C10 Fe1 C8 C7 81.3(4) . . . . ?
C4 Fe1 C8 C7 -178.1(4) . . . . ?
C5 Fe1 C8 C7 153.1(9) . . . . ?
C1 Fe1 C8 C7 -60.6(7) . . . . ?
C6 Fe1 C8 C7 37.6(4) . . . . ?
C2 Fe1 C8 C9 146.6(4) . . . . ?
C3 Fe1 C8 C9 102.8(4) . . . . ?
C10 Fe1 C8 C9 -37.7(4) . . . . ?
C4 Fe1 C8 C9 62.9(5) . . . . ?
C5 Fe1 C8 C9 34.1(12) . . . . ?
C1 Fe1 C8 C9 -179.7(5) . . . . ?
C6 Fe1 C8 C9 -81.4(4) . . . . ?
C7 Fe1 C8 C9 -119.0(6) . . . . ?
C7 C8 C9 C10 -0.7(8) . . . . ?
Fe1 C8 C9 C10 59.6(5) . . . . ?
C7 C8 C9 Fe1 -60.3(4) . . . . ?
C2 Fe1 C9 C10 178.5(5) . . . . ?
C3 Fe1 C9 C10 149.0(4) . . . . ?
C8 Fe1 C9 C10 -118.9(6) . . . . ?
C4 Fe1 C9 C10 107.8(4) . . . . ?
C5 Fe1 C9 C10 71.3(5) . . . . ?
C1 Fe1 C9 C10 60.5(12) . . . . ?
C6 Fe1 C9 C10 -37.7(4) . . . . ?
C7 Fe1 C9 C10 -81.1(4) . . . . ?
C2 Fe1 C9 C8 -62.6(7) . . . . ?
C3 Fe1 C9 C8 -92.1(4) . . . . ?
C10 Fe1 C9 C8 118.9(6) . . . . ?
C4 Fe1 C9 C8 -133.3(4) . . . . ?
C5 Fe1 C9 C8 -169.8(4) . . . . ?
C1 Fe1 C9 C8 179.4(9) . . . . ?
C6 Fe1 C9 C8 81.2(4) . . . . ?
C7 Fe1 C9 C8 37.8(4) . . . . ?
C8 C9 C10 C6 0.9(8) . . . . ?
Fe1 C9 C10 C6 60.1(5) . . . . ?
C8 C9 C10 Fe1 -59.2(5) . . . . ?
C7 C6 C10 C9 -0.7(7) . . . . ?
Fe1 C6 C10 C9 -59.6(5) . . . . ?
C7 C6 C10 Fe1 58.9(4) . . . . ?
C3 Fe1 C10 C9 -52.1(6) . . . . ?
C8 Fe1 C10 C9 38.2(4) . . . . ?
C4 Fe1 C10 C9 -84.7(5) . . . . ?
C5 Fe1 C10 C9 -127.2(4) . . . . ?
C1 Fe1 C10 C9 -163.9(4) . . . . ?
C6 Fe1 C10 C9 119.1(6) . . . . ?
C7 Fe1 C10 C9 82.1(5) . . . . ?
C3 Fe1 C10 C6 -171.2(4) . . . . ?
C8 Fe1 C10 C6 -80.9(4) . . . . ?
C9 Fe1 C10 C6 -119.1(6) . . . . ?
C4 Fe1 C10 C6 156.3(4) . . . . ?
C5 Fe1 C10 C6 113.7(4) . . . . ?
C1 Fe1 C10 C6 77.0(5) . . . . ?
C7 Fe1 C10 C6 -36.9(4) . . . . ?
C5 C1 C11 C12 85.1(6) . . . . ?
C2 C1 C11 C12 -73.9(6) . . . . ?
Fe1 C1 C11 C12 -176.7(5) . . . . ?
C5 C1 C11 P2 -148.5(4) . . . . ?
C2 C1 C11 P2 52.5(7) . . . . ?
Fe1 C1 C11 P2 -50.3(7) . . . . ?
C20 P2 C11 C1 -167.1(4) . . . . ?
C28 P2 C11 C1 80.6(4) . . . . ?
Pt1 P2 C11 C1 -48.0(4) . . . . ?
C20 P2 C11 C12 -43.9(4) . . . . ?
C28 P2 C11 C12 -156.2(4) . . . . ?
Pt1 P2 C11 C12 75.2(4) . . . . ?
C2 P1 C13 F1 86.4(5) . . . . ?
C14 P1 C13 F1 -163.5(4) . . . . ?
Pt1 P1 C13 F1 -40.3(5) . . . . ?
C2 P1 C13 F2 -151.6(4) . . . . ?
C14 P1 C13 F2 -41.6(5) . . . . ?
Pt1 P1 C13 F2 81.6(4) . . . . ?
C2 P1 C13 F3 -32.1(5) . . . . ?
C14 P1 C13 F3 78.0(5) . . . . ?
Pt1 P1 C13 F3 -158.9(4) . . . . ?
C2 P1 C14 C19 -137.4(5) . . . . ?
C13 P1 C14 C19 114.4(5) . . . . ?
Pt1 P1 C14 C19 -4.8(5) . . . . ?
C2 P1 C14 C15 41.0(6) . . . . ?
C13 P1 C14 C15 -67.2(6) . . . . ?
Pt1 P1 C14 C15 173.5(5) . . . . ?
C19 C14 C15 C16 1.7(10) . . . . ?
P1 C14 C15 C16 -176.7(5) . . . . ?
C14 C15 C16 C17 -0.4(11) . . . . ?
C15 C16 C17 C18 -0.3(11) . . . . ?
C16 C17 C18 C19 -0.3(11) . . . . ?
C15 C14 C19 C18 -2.3(10) . . . . ?
P1 C14 C19 C18 176.0(5) . . . . ?
C17 C18 C19 C14 1.7(10) . . . . ?
C28 P2 C20 C21 -172.8(4) . . . . ?
C11 P2 C20 C21 76.8(5) . . . . ?
Pt1 P2 C20 C21 -48.1(5) . . . . ?
C28 P2 C20 C27 9.6(5) . . . . ?
C11 P2 C20 C27 -100.9(5) . . . . ?
Pt1 P2 C20 C27 134.3(4) . . . . ?
C27 C20 C21 C22 2.0(8) . . . . ?
P2 C20 C21 C22 -175.7(5) . . . . ?
C20 C21 C22 C24 -1.6(9) . . . . ?
C20 C21 C22 C23 178.1(6) . . . . ?
C21 C22 C24 C25 -0.3(9) . . . . ?
C23 C22 C24 C25 -180.0(6) . . . . ?
C22 C24 C25 C27 1.7(9) . . . . ?
C22 C24 C25 C26 -178.1(5) . . . . ?
C24 C25 C27 C20 -1.3(8) . . . . ?
C26 C25 C27 C20 178.5(5) . . . . ?
C21 C20 C27 C25 -0.6(8) . . . . ?
P2 C20 C27 C25 177.0(4) . . . . ?
C20 P2 C28 C29 110.9(5) . . . . ?
C11 P2 C28 C29 -138.7(4) . . . . ?
Pt1 P2 C28 C29 -9.3(5) . . . . ?
C20 P2 C28 C35 -69.2(5) . . . . ?
C11 P2 C28 C35 41.2(5) . . . . ?
Pt1 P2 C28 C35 170.6(4) . . . . ?
C35 C28 C29 C30 -0.5(8) . . . . ?
P2 C28 C29 C30 179.4(4) . . . . ?
C28 C29 C30 C32 -0.3(8) . . . . ?
C28 C29 C30 C31 -179.2(5) . . . . ?
C29 C30 C32 C33 1.0(9) . . . . ?
C31 C30 C32 C33 179.9(6) . . . . ?
C30 C32 C33 C35 -0.9(9) . . . . ?
C30 C32 C33 C34 -179.7(6) . . . . ?
C32 C33 C35 C28 0.0(8) . . . . ?
C34 C33 C35 C28 178.9(5) . . . . ?
C29 C28 C35 C33 0.7(8) . . . . ?
P2 C28 C35 C33 -179.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.56
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.338
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.124
