# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Chud-2_a
_database_code_depnum_ccdc_archive 'CCDC 2093592'
loop_
_audit_author_name
_audit_author_address
'Alexander D. Vasiliev'
;Institute of Physics, Krasnouarsk Federal Scientific Center SB RAS
Russia
;
_audit_update_record             
;
2021-07-01 deposited with the CCDC.	2021-12-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'(1,1,2,2,2,3-hexacarbonyl)-(1-?5-cyclopentadienyl)-?3-[1,2-?1,?1,3-?2-(phenyl)ethenylidene]-(tri-ethyl phosphite-3\kP)--rhenium--iron--platinum(Fe--Re, Fe--Pt)'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H26 Fe O9 P Pt Re'
_chemical_formula_sum            'C25 H26 Fe O9 P Pt Re'
_chemical_formula_weight         938.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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'
P P 0.1023 0.0942 '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                   9.4887(3)
_cell_length_b                   9.8037(3)
_cell_length_c                   16.3209(5)
_cell_angle_alpha                84.4370(10)
_cell_angle_beta                 83.0240(10)
_cell_angle_gamma                74.7760(10)
_cell_volume                     1450.76(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4918
_cell_measurement_theta_min      2.424
_cell_measurement_theta_max      27.784

_exptl_crystal_description       plate
_exptl_crystal_colour            dark-red
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.149
_exptl_crystal_F_000             884
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    9.567
_shelx_estimated_absorpt_T_min   0.122
_shelx_estimated_absorpt_T_max   0.598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3876
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;
 Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker PHOTON-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18439
_diffrn_reflns_av_unetI/netI     0.0746
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.260
_diffrn_reflns_theta_max         28.339
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7237
_reflns_number_gt                5448
_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.
 
 _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       'Bruker PHOTON 2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0502P)²+0.4853P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014)'
_refine_ls_extinction_coef       0.0034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7237
_refine_ls_number_parameters     348
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0441
_refine_ls_wR_factor_ref         0.1130
_refine_ls_wR_factor_gt          0.1026
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_restrained_S_all      0.954
_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
Pt Pt 0.73309(3) 0.51223(3) 0.26345(2) 0.04166(11) Uani 1 1 d . . . . .
Re Re 0.79844(4) 0.13230(3) 0.33885(2) 0.04872(11) Uani 1 1 d . . . . .
Fe Fe 0.79113(11) 0.38188(12) 0.40962(6) 0.0460(3) Uani 1 1 d . . . . .
P P 0.6461(2) 0.6490(2) 0.15160(13) 0.0484(5) Uani 1 1 d . . . . .
O3 O 0.9354(7) 0.1775(7) 0.1639(4) 0.0745(18) Uani 1 1 d . . . . .
O4 O 1.1025(8) 0.0973(8) 0.3947(5) 0.097(3) Uani 1 1 d . . . . .
O5 O 0.7396(11) 0.2526(10) 0.5742(5) 0.112(3) Uani 1 1 d . . . . .
O6 O 1.0850(7) 0.4126(11) 0.4313(5) 0.121(4) Uani 1 1 d . . . . .
O7 O 0.6097(8) 0.6527(8) 0.4637(5) 0.094(2) Uani 1 1 d . . . . .
O8 O 1.0090(8) 0.6099(8) 0.2547(7) 0.113(3) Uani 1 1 d . . . . .
O9 O 0.4783(7) 0.7274(7) 0.1521(4) 0.0696(17) Uani 1 1 d . . . . .
O10 O 0.7320(7) 0.7706(6) 0.1338(4) 0.0700(17) Uani 1 1 d . . . . .
O11 O 0.6580(6) 0.5812(6) 0.0664(3) 0.0576(14) Uani 1 1 d . . . . .
C1 C 0.6687(8) 0.3381(8) 0.3400(4) 0.0403(15) Uani 1 1 d . . . . .
C2 C 0.5461(7) 0.4224(8) 0.3009(5) 0.0440(16) Uani 1 1 d . . . . .
H2 H 0.4758 0.4807 0.3407 0.036(17) Uiso 1 1 calc R . . . .
C3 C 0.8831(9) 0.1652(8) 0.2299(5) 0.0532(19) Uani 1 1 d . . . . .
C4 C 0.9847(11) 0.1242(10) 0.3754(6) 0.068(2) Uani 1 1 d . . . . .
C5 C 0.7615(10) 0.3020(10) 0.5089(6) 0.067(2) Uani 1 1 d . . . . .
C6 C 0.9748(10) 0.4021(11) 0.4200(6) 0.071(3) Uani 1 1 d . . . . .
C7 C 0.6796(9) 0.5472(10) 0.4420(6) 0.060(2) Uani 1 1 d . . . . .
C8 C 0.9100(10) 0.5693(9) 0.2595(7) 0.065(2) Uani 1 1 d . . . . .
C9 C 0.6159(14) 0.0257(11) 0.3202(8) 0.084(3) Uani 1 1 d . . . . .
H9 H 0.5586 0.0569 0.2764 0.101 Uiso 1 1 calc R U . . .
C10 C 0.5846(13) 0.0731(11) 0.4000(9) 0.087(3) Uani 1 1 d . . . . .
H10 H 0.5010 0.1414 0.4179 0.104 Uiso 1 1 calc R U . . .
C11 C 0.6923(18) 0.0060(16) 0.4473(8) 0.106(5) Uani 1 1 d . . . . .
H11 H 0.6969 0.0193 0.5025 0.127 Uiso 1 1 calc R U . . .
C12 C 0.8006(15) -0.0920(12) 0.3947(10) 0.108(5) Uani 1 1 d . . . . .
H12 H 0.8880 -0.1531 0.4095 0.130 Uiso 1 1 calc R U . . .
C13 C 0.7464(15) -0.0749(11) 0.3187(7) 0.090(4) Uani 1 1 d . . . . .
H13 H 0.7922 -0.1247 0.2730 0.107 Uiso 1 1 calc R U . . .
C14 C 0.4694(8) 0.3646(8) 0.2451(5) 0.0458(16) Uani 1 1 d . . . . .
C15 C 0.3265(9) 0.3556(11) 0.2708(6) 0.071(3) Uani 1 1 d . . . . .
H15 H 0.2789 0.3945 0.3196 0.086 Uiso 1 1 calc R U . . .
C16 C 0.2554(11) 0.2897(13) 0.2247(7) 0.083(3) Uani 1 1 d . . . . .
H16 H 0.1624 0.2793 0.2444 0.100 Uiso 1 1 calc R U . . .
C17 C 0.3205(12) 0.2385(10) 0.1494(7) 0.076(3) Uani 1 1 d . . . . .
H17 H 0.2708 0.1957 0.1180 0.091 Uiso 1 1 calc R U . . .
C18 C 0.4579(10) 0.2515(9) 0.1218(5) 0.062(2) Uani 1 1 d . . . . .
H18 H 0.5021 0.2198 0.0707 0.074 Uiso 1 1 calc R U . . .
C19 C 0.5314(8) 0.3125(8) 0.1705(5) 0.0485(17) Uani 1 1 d . . . . .
H19 H 0.6264 0.3183 0.1519 0.058 Uiso 1 1 calc R U . . .
C20 C 0.4010(11) 0.7878(16) 0.2251(8) 0.114(5) Uani 1 1 d D . . . .
H20A H 0.4082 0.7156 0.2705 0.136 Uiso 1 1 calc R U . . .
H20B H 0.4436 0.8610 0.2394 0.136 Uiso 1 1 calc R U . . .
C21 C 0.2421(10) 0.8507(15) 0.2110(8) 0.109(4) Uani 1 1 d D . . . .
H21A H 0.2014 0.9284 0.2455 0.164 Uiso 1 1 calc R U . . .
H21B H 0.1885 0.7797 0.2246 0.164 Uiso 1 1 calc R U . . .
H21C H 0.2353 0.8840 0.1540 0.164 Uiso 1 1 calc R U . . .
C22 C 0.6862(12) 0.8841(10) 0.0697(7) 0.090(3) Uani 1 1 d D . . . .
H22A H 0.6580 0.8468 0.0231 0.108 Uiso 1 1 calc R U . . .
H22B H 0.6033 0.9568 0.0916 0.108 Uiso 1 1 calc R U . . .
C23 C 0.8171(14) 0.9447(15) 0.0433(9) 0.127(5) Uani 1 1 d D . . . .
H23A H 0.7865 1.0328 0.0113 0.190 Uiso 1 1 calc R U . . .
H23B H 0.8898 0.8791 0.0105 0.190 Uiso 1 1 calc R U . . .
H23C H 0.8580 0.9605 0.0915 0.190 Uiso 1 1 calc R U . . .
C24 C 0.7968(11) 0.4985(10) 0.0326(6) 0.076(3) Uani 1 1 d D . . . .
H24A H 0.8491 0.4408 0.0765 0.091 Uiso 1 1 calc R U . . .
H24B H 0.8558 0.5604 0.0058 0.091 Uiso 1 1 calc R U . . .
C25 C 0.7717(13) 0.4042(11) -0.0298(6) 0.092(4) Uani 1 1 d D . . . .
H25A H 0.8646 0.3509 -0.0542 0.138 Uiso 1 1 calc R U . . .
H25B H 0.7176 0.4618 -0.0723 0.138 Uiso 1 1 calc R U . . .
H25C H 0.7171 0.3403 -0.0024 0.138 Uiso 1 1 calc R U . . .


_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
Pt C8 1.896(9) . ?
Pt C2 2.179(7) . ?
Pt C1 2.190(7) . ?
Pt P 2.263(2) . ?
Pt Fe 2.6431(12) . ?
Re C3 1.895(9) . ?
Re C4 1.913(10) . ?
Re C1 2.070(7) . ?
Re C13 2.274(9) . ?
Re C12 2.293(10) . ?
Re C9 2.307(10) . ?
Re C10 2.338(10) . ?
Re C11 2.340(11) . ?
Re Fe 2.7866(11) . ?
Fe C5 1.754(10) . ?
Fe C7 1.776(9) . ?
Fe C6 1.834(9) . ?
Fe C1 1.872(7) . ?
P O9 1.576(6) . ?
P O11 1.578(6) . ?
P O10 1.599(6) . ?
O3 C3 1.138(9) . ?
O4 C4 1.154(11) . ?
O5 C5 1.146(11) . ?
O6 C6 1.116(10) . ?
O7 C7 1.136(10) . ?
O8 C8 1.104(10) . ?
O9 C20 1.416(13) . ?
O10 C22 1.467(11) . ?
O11 C24 1.430(10) . ?
C1 C2 1.419(10) . ?
C2 C14 1.469(10) . ?
C2 H2 0.9800 . ?
C9 C13 1.365(16) . ?
C9 C10 1.396(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.347(17) . ?
C10 H10 0.9300 . ?
C11 C12 1.464(19) . ?
C11 H11 0.9300 . ?
C12 C13 1.379(16) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C19 1.370(10) . ?
C14 C15 1.392(10) . ?
C15 C16 1.373(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.384(14) . ?
C16 H16 0.9300 . ?
C17 C18 1.362(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(10) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.508(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.512(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.518(5) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 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
C8 Pt C2 164.5(4) . . ?
C8 Pt C1 128.2(3) . . ?
C2 Pt C1 37.9(3) . . ?
C8 Pt P 97.0(3) . . ?
C2 Pt P 98.2(2) . . ?
C1 Pt P 133.87(18) . . ?
C8 Pt Fe 87.8(3) . . ?
C2 Pt Fe 76.7(2) . . ?
C1 Pt Fe 44.35(17) . . ?
P Pt Fe 169.28(6) . . ?
C3 Re C4 87.2(4) . . ?
C3 Re C1 91.9(3) . . ?
C4 Re C1 109.7(3) . . ?
C3 Re C13 97.0(4) . . ?
C4 Re C13 118.3(4) . . ?
C1 Re C13 131.5(4) . . ?
C3 Re C12 121.7(5) . . ?
C4 Re C12 92.6(4) . . ?
C1 Re C12 140.9(4) . . ?
C13 Re C12 35.1(4) . . ?
C3 Re C9 103.8(4) . . ?
C4 Re C9 150.9(4) . . ?
C1 Re C9 97.0(4) . . ?
C13 Re C9 34.7(4) . . ?
C12 Re C9 58.6(4) . . ?
C3 Re C10 136.6(4) . . ?
C4 Re C10 134.7(5) . . ?
C1 Re C10 84.1(3) . . ?
C13 Re C10 57.5(4) . . ?
C12 Re C10 58.2(5) . . ?
C9 Re C10 35.0(4) . . ?
C3 Re C11 155.8(4) . . ?
C4 Re C11 102.4(5) . . ?
C1 Re C11 105.3(5) . . ?
C13 Re C11 58.9(5) . . ?
C12 Re C11 36.8(5) . . ?
C9 Re C11 58.0(4) . . ?
C10 Re C11 33.5(4) . . ?
C3 Re Fe 101.7(2) . . ?
C4 Re Fe 69.3(3) . . ?
C1 Re Fe 42.20(18) . . ?
C13 Re Fe 160.3(3) . . ?
C12 Re Fe 132.4(4) . . ?
C9 Re Fe 132.1(3) . . ?
C10 Re Fe 103.7(3) . . ?
C11 Re Fe 102.5(4) . . ?
C5 Fe C7 90.5(4) . . ?
C5 Fe C6 96.9(5) . . ?
C7 Fe C6 101.0(4) . . ?
C5 Fe C1 109.2(4) . . ?
C7 Fe C1 99.9(4) . . ?
C6 Fe C1 146.2(3) . . ?
C5 Fe Pt 159.3(3) . . ?
C7 Fe Pt 80.6(3) . . ?
C6 Fe Pt 103.1(3) . . ?
C1 Fe Pt 54.9(2) . . ?
C5 Fe Re 90.6(3) . . ?
C7 Fe Re 145.8(3) . . ?
C6 Fe Re 112.8(3) . . ?
C1 Fe Re 48.0(2) . . ?
Pt Fe Re 86.52(3) . . ?
O9 P O11 95.4(3) . . ?
O9 P O10 105.7(4) . . ?
O11 P O10 105.8(3) . . ?
O9 P Pt 120.7(3) . . ?
O11 P Pt 120.1(2) . . ?
O10 P Pt 107.4(3) . . ?
C20 O9 P 119.4(6) . . ?
C22 O10 P 119.1(6) . . ?
C24 O11 P 119.6(5) . . ?
C2 C1 Fe 132.3(5) . . ?
C2 C1 Re 137.7(5) . . ?
Fe C1 Re 89.8(3) . . ?
C2 C1 Pt 70.6(4) . . ?
Fe C1 Pt 80.8(2) . . ?
Re C1 Pt 121.8(3) . . ?
C1 C2 C14 122.5(6) . . ?
C1 C2 Pt 71.5(4) . . ?
C14 C2 Pt 125.4(5) . . ?
C1 C2 H2 110.7 . . ?
C14 C2 H2 110.7 . . ?
Pt C2 H2 110.7 . . ?
O3 C3 Re 176.4(7) . . ?
O4 C4 Re 169.3(8) . . ?
O5 C5 Fe 178.4(10) . . ?
O6 C6 Fe 175.8(9) . . ?
O7 C7 Fe 178.9(9) . . ?
O8 C8 Pt 175.7(9) . . ?
C13 C9 C10 107.1(10) . . ?
C13 C9 Re 71.3(6) . . ?
C10 C9 Re 73.7(6) . . ?
C13 C9 H9 126.5 . . ?
C10 C9 H9 126.5 . . ?
Re C9 H9 120.3 . . ?
C11 C10 C9 110.5(12) . . ?
C11 C10 Re 73.4(7) . . ?
C9 C10 Re 71.3(6) . . ?
C11 C10 H10 124.8 . . ?
C9 C10 H10 124.8 . . ?
Re C10 H10 122.1 . . ?
C10 C11 C12 106.4(12) . . ?
C10 C11 Re 73.2(6) . . ?
C12 C11 Re 69.8(6) . . ?
C10 C11 H11 126.8 . . ?
C12 C11 H11 126.8 . . ?
Re C11 H11 122.0 . . ?
C13 C12 C11 105.8(11) . . ?
C13 C12 Re 71.7(6) . . ?
C11 C12 Re 73.4(6) . . ?
C13 C12 H12 127.1 . . ?
C11 C12 H12 127.1 . . ?
Re C12 H12 119.9 . . ?
C9 C13 C12 110.2(12) . . ?
C9 C13 Re 74.0(6) . . ?
C12 C13 Re 73.2(6) . . ?
C9 C13 H13 124.9 . . ?
C12 C13 H13 124.9 . . ?
Re C13 H13 119.6 . . ?
C19 C14 C15 117.3(7) . . ?
C19 C14 C2 124.3(6) . . ?
C15 C14 C2 118.4(7) . . ?
C16 C15 C14 120.6(9) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 120.9(8) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 119.2(8) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C17 C18 C19 119.5(9) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C14 C19 C18 122.5(7) . . ?
C14 C19 H19 118.8 . . ?
C18 C19 H19 118.8 . . ?
C21 C20 O9 109.3(9) . . ?
C21 C20 H20A 109.8 . . ?
O9 C20 H20A 109.8 . . ?
C21 C20 H20B 109.8 . . ?
O9 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 O10 106.4(9) . . ?
C23 C22 H22A 110.5 . . ?
O10 C22 H22A 110.5 . . ?
C23 C22 H22B 110.5 . . ?
O10 C22 H22B 110.5 . . ?
H22A C22 H22B 108.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O11 C24 C25 109.1(8) . . ?
O11 C24 H24A 109.9 . . ?
C25 C24 H24A 109.9 . . ?
O11 C24 H24B 109.9 . . ?
C25 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?

_refine_diff_density_max         1.343
_refine_diff_density_min         -1.136
_refine_diff_density_rms         0.163



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane and hexane:diethyl ether mixture'
####################################################################### 
# 
# 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_Chud4_a
_database_code_depnum_ccdc_archive 'CCDC 2093594'
loop_
_audit_author_name
_audit_author_address
'Alexander D. Vasiliev'
;Institute of Physics, Krasnouarsk Federal Scientific Center SB RAS
Russia
;
_audit_update_record             
;
2021-07-01 deposited with the CCDC.	2021-12-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'(1,1,2,2,2,3-hexacarbonyl)-(1-?5-cyclopentadienyl)-?3-[1,2-?1,?1,3-?2-(phenyl)ethenylidene]-(tri-ethyl phosphite-3\kP)--rhenium--iron--platinum(Fe--Re, Fe--Pt)'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H41 Fe O11 P2 Pt Re'
_chemical_formula_sum            'C30 H41 Fe O11 P2 Pt Re'
_chemical_formula_weight         1076.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Re Re -1.0185 7.2310 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.7530(3)
_cell_length_b                   20.1543(5)
_cell_length_c                   16.4212(4)
_cell_angle_alpha                90
_cell_angle_beta                 106.6490(10)
_cell_angle_gamma                90
_cell_volume                     3726.68(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9919
_cell_measurement_theta_min      2.508
_cell_measurement_theta_max      30.453

_exptl_crystal_description       shapeless
_exptl_crystal_colour            dark-red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_F_000             2072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.750
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    7.507
_shelx_estimated_absorpt_T_min   0.071
_shelx_estimated_absorpt_T_max   0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3967
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   
;
 Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker PHOTON II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            52871
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.642
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10885
_reflns_number_gt                7828
_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.
 
 _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       'Bruker PHOTON II'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick 2015)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0493P)²+5.7769P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10885
_refine_ls_number_parameters     418
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0466
_refine_ls_wR_factor_ref         0.1137
_refine_ls_wR_factor_gt          0.1026
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.030
_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
Pt Pt 0.22487(2) 0.62360(2) 0.31933(2) 0.04542(8) Uani 1 1 d . . . . .
Re Re 0.38908(2) 0.51703(2) 0.20961(2) 0.04802(8) Uani 1 1 d . . . . .
Fe Fe 0.28652(9) 0.49581(4) 0.34052(6) 0.0496(2) Uani 1 1 d . . . . .
C1 C 0.3804(5) 0.5633(3) 0.3198(4) 0.0446(13) Uani 1 1 d . . . . .
C2 C 0.4230(5) 0.6224(3) 0.3664(4) 0.0450(13) Uani 1 1 d . . . . .
H2 H 0.440(6) 0.618(3) 0.428(4) 0.054 Uiso 1 1 d . U . . .
C3 C 0.2883(7) 0.5793(4) 0.1404(4) 0.0580(17) Uani 1 1 d . . . . .
O3 O 0.2309(6) 0.6178(3) 0.0942(3) 0.0816(17) Uani 1 1 d . . . . .
C4 C 0.2578(7) 0.4582(4) 0.1771(5) 0.0651(19) Uani 1 1 d . . . . .
O4 O 0.1851(6) 0.4191(3) 0.1463(4) 0.097(2) Uani 1 1 d . . . . .
C5 C 0.2915(7) 0.5203(4) 0.4435(5) 0.0662(19) Uani 1 1 d . . . . .
O5 O 0.2986(7) 0.5350(4) 0.5121(4) 0.101(2) Uani 1 1 d . . . . .
C6 C 0.1474(8) 0.4519(4) 0.3129(5) 0.074(2) Uani 1 1 d . . . . .
O6 O 0.0615(7) 0.4204(4) 0.3002(5) 0.115(3) Uani 1 1 d . . . . .
C7 C 0.3782(8) 0.4257(4) 0.3765(5) 0.068(2) Uani 1 1 d . . . . .
O7 O 0.4374(7) 0.3803(3) 0.4012(4) 0.100(2) Uani 1 1 d . . . . .
C8 C 0.5928(8) 0.5175(7) 0.2726(7) 0.097(4) Uani 1 1 d . . . . .
H8 H 0.6270 0.5372 0.3251 0.116 Uiso 1 1 calc R U . . .
C9 C 0.5668(9) 0.5494(5) 0.1953(9) 0.097(3) Uani 1 1 d . . . . .
H9 H 0.5794 0.5941 0.1871 0.116 Uiso 1 1 calc R U . . .
C10 C 0.5202(11) 0.5050(8) 0.1338(7) 0.112(4) Uani 1 1 d . . . . .
H10 H 0.4956 0.5131 0.0756 0.135 Uiso 1 1 calc R U . . .
C11 C 0.5158(11) 0.4445(6) 0.1740(12) 0.126(5) Uani 1 1 d . . . . .
H11 H 0.4875 0.4044 0.1478 0.151 Uiso 1 1 calc R U . . .
C12 C 0.5623(10) 0.4557(7) 0.2608(9) 0.109(4) Uani 1 1 d . . . . .
H12 H 0.5700 0.4241 0.3033 0.131 Uiso 1 1 calc R U . . .
P1 P 0.20454(17) 0.73283(9) 0.33699(12) 0.0552(4) Uani 1 1 d . . . . .
O9 O 0.3131(5) 0.7752(3) 0.3907(3) 0.0748(15) Uani 1 1 d D . . . .
C13 C 0.3647(8) 0.7646(4) 0.4790(4) 0.085(2) Uani 1 1 d D U . . .
H131 H 0.4013 0.7211 0.4887 0.102 Uiso 1 1 calc R U . . .
H132 H 0.3042 0.7670 0.5086 0.102 Uiso 1 1 calc R U . . .
C14 C 0.4572(9) 0.8180(5) 0.5112(6) 0.098(3) Uani 1 1 d D U . . .
H141 H 0.4937 0.8120 0.5711 0.147 Uiso 1 1 calc R U . . .
H142 H 0.5167 0.8151 0.4817 0.147 Uiso 1 1 calc R U . . .
H143 H 0.4199 0.8608 0.5015 0.147 Uiso 1 1 calc R U . . .
O10 O 0.1020(5) 0.7460(2) 0.3789(4) 0.0752(15) Uani 1 1 d D . . . .
C15 C 0.0648(8) 0.8112(3) 0.3955(6) 0.083(2) Uani 1 1 d D U . . .
H151 H 0.0132 0.8302 0.3439 0.100 Uiso 1 1 calc R U . . .
H152 H 0.1333 0.8399 0.4161 0.100 Uiso 1 1 calc R U . . .
C16 C -0.0007(7) 0.8046(4) 0.4619(5) 0.083(2) Uani 1 1 d D U . . .
H161 H -0.0267 0.8477 0.4743 0.124 Uiso 1 1 calc R U . . .
H162 H -0.0684 0.7763 0.4409 0.124 Uiso 1 1 calc R U . . .
H163 H 0.0513 0.7859 0.5128 0.124 Uiso 1 1 calc R U . . .
O11 O 0.1760(7) 0.7777(3) 0.2568(5) 0.110(2) Uani 1 1 d D . . . .
C17 C 0.1829(15) 0.8411(7) 0.1355(8) 0.145(6) Uani 1 1 d . . . . .
C181 C 0.2105(19) 0.8396(6) 0.2298(14) 0.074(9) Uiso 0.39(3) 1 d D . P . .
C182 C 0.181(3) 0.793(2) 0.1731(11) 0.208(17) Uiso 0.61(3) 1 d D . P . .
P2 P 0.03071(18) 0.60419(12) 0.26682(15) 0.0731(6) Uani 1 1 d . . . . .
O13 O -0.0384(6) 0.6688(4) 0.2149(6) 0.132(3) Uani 1 1 d D . . . .
C19 C -0.1586(9) 0.6878(9) 0.2016(12) 0.207(9) Uani 1 1 d D U . . .
H191 H -0.1714 0.7027 0.2544 0.249 Uiso 1 1 calc R U . . .
H192 H -0.2111 0.6507 0.1800 0.249 Uiso 1 1 calc R U . . .
C20 C -0.1820(13) 0.7435(7) 0.1377(9) 0.152(6) Uani 1 1 d D U . . .
H201 H -0.2628 0.7581 0.1266 0.228 Uiso 1 1 calc R U . . .
H202 H -0.1294 0.7798 0.1599 0.228 Uiso 1 1 calc R U . . .
H203 H -0.1688 0.7281 0.0858 0.228 Uiso 1 1 calc R U . . .
O14 O -0.0014(6) 0.5482(3) 0.1954(5) 0.111(2) Uani 1 1 d D U . . .
C21 C -0.1160(10) 0.5189(11) 0.1633(9) 0.223(10) Uani 1 1 d D U . . .
H211 H -0.1780 0.5496 0.1668 0.267 Uiso 1 1 calc R U . . .
H212 H -0.1226 0.4788 0.1943 0.267 Uiso 1 1 calc R U . . .
C22 C -0.1237(14) 0.5033(8) 0.0717(8) 0.179(7) Uani 1 1 d D U . . .
H221 H -0.1991 0.4832 0.0446 0.269 Uiso 1 1 calc R U . . .
H222 H -0.1160 0.5436 0.0426 0.269 Uiso 1 1 calc R U . . .
H223 H -0.0610 0.4734 0.0699 0.269 Uiso 1 1 calc R U . . .
O15 O -0.0439(7) 0.5821(5) 0.3252(6) 0.143(4) Uani 1 1 d D . . . .
C23 C -0.0057(10) 0.5930(8) 0.4142(6) 0.149(5) Uani 1 1 d D U . . .
H231 H 0.0351 0.6353 0.4259 0.179 Uiso 1 1 calc R U . . .
H232 H 0.0500 0.5585 0.4412 0.179 Uiso 1 1 calc R U . . .
C24 C -0.1094(11) 0.5929(9) 0.4510(10) 0.164(6) Uani 1 1 d D U . . .
H241 H -0.0813 0.6004 0.5111 0.247 Uiso 1 1 calc R U . . .
H242 H -0.1639 0.6275 0.4249 0.247 Uiso 1 1 calc R U . . .
H243 H -0.1490 0.5508 0.4402 0.247 Uiso 1 1 calc R U . . .
C25 C 0.4948(6) 0.6745(3) 0.3395(4) 0.0529(15) Uani 1 1 d . . . . .
C26 C 0.5972(7) 0.6956(4) 0.3989(6) 0.073(2) Uani 1 1 d . . . . .
H26 H 0.6196 0.6762 0.4526 0.088 Uiso 1 1 calc R U . . .
C27 C 0.6665(8) 0.7448(6) 0.3799(7) 0.097(3) Uani 1 1 d . . . . .
H27 H 0.7348 0.7583 0.4212 0.116 Uiso 1 1 calc R U . . .
C28 C 0.6378(9) 0.7741(5) 0.3030(8) 0.097(3) Uani 1 1 d . . . . .
H28 H 0.6851 0.8077 0.2915 0.116 Uiso 1 1 calc R U . . .
C29 C 0.5371(10) 0.7535(4) 0.2415(7) 0.090(3) Uani 1 1 d . . . . .
H29 H 0.5173 0.7723 0.1876 0.108 Uiso 1 1 calc R U . . .
C30 C 0.4643(8) 0.7035(4) 0.2610(5) 0.070(2) Uani 1 1 d . . . . .
H30 H 0.3954 0.6904 0.2201 0.084 Uiso 1 1 calc R U . . .


_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
Pt C1 2.193(6) . ?
Pt P2 2.231(2) . ?
Pt C2 2.234(6) . ?
Pt P1 2.2422(18) . ?
Pt Fe 2.6711(9) . ?
Re C3 1.871(7) . ?
Re C4 1.897(8) . ?
Re C1 2.064(6) . ?
Re C10 2.255(10) . ?
Re C9 2.264(9) . ?
Re C11 2.281(9) . ?
Re C8 2.321(9) . ?
Re C12 2.323(9) . ?
Re Fe 2.7825(10) . ?
Fe C5 1.746(8) . ?
Fe C7 1.772(8) . ?
Fe C6 1.800(9) . ?
Fe C1 1.844(6) . ?
C1 C2 1.426(8) . ?
C2 C25 1.492(9) . ?
C2 H2 0.98(7) . ?
C3 O3 1.158(8) . ?
C4 O4 1.166(9) . ?
C5 O5 1.145(9) . ?
C6 O6 1.159(10) . ?
C7 O7 1.150(9) . ?
C8 C12 1.295(16) . ?
C8 C9 1.377(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.343(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.396(17) . ?
C10 H10 0.9300 . ?
C11 C12 1.392(17) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
P1 O11 1.553(6) . ?
P1 O10 1.572(6) . ?
P1 O9 1.578(6) . ?
O9 C13 1.418(5) . ?
C13 C14 1.514(5) . ?
C13 H131 0.9700 . ?
C13 H132 0.9700 . ?
C14 H141 0.9600 . ?
C14 H142 0.9600 . ?
C14 H143 0.9600 . ?
O10 C15 1.435(4) . ?
C15 C16 1.511(5) . ?
C15 H151 0.9700 . ?
C15 H152 0.9700 . ?
C16 H161 0.9600 . ?
C16 H162 0.9600 . ?
C16 H163 0.9600 . ?
O11 C181 1.422(5) . ?
O11 C182 1.426(5) . ?
C17 C182 1.15(3) . ?
C17 C181 1.49(2) . ?
C181 C182 1.29(4) . ?
P2 O15 1.539(8) . ?
P2 O14 1.592(7) . ?
P2 O13 1.640(8) . ?
O13 C19 1.418(5) . ?
C19 C20 1.507(5) . ?
C19 H191 0.9700 . ?
C19 H192 0.9700 . ?
C20 H201 0.9600 . ?
C20 H202 0.9600 . ?
C20 H203 0.9600 . ?
O14 C21 1.427(5) . ?
C21 C22 1.513(5) . ?
C21 H211 0.9700 . ?
C21 H212 0.9700 . ?
C22 H221 0.9600 . ?
C22 H222 0.9600 . ?
C22 H223 0.9600 . ?
O15 C23 1.418(5) . ?
C23 C24 1.507(5) . ?
C23 H231 0.9700 . ?
C23 H232 0.9700 . ?
C24 H241 0.9600 . ?
C24 H242 0.9600 . ?
C24 H243 0.9600 . ?
C25 C30 1.367(10) . ?
C25 C26 1.382(10) . ?
C26 C27 1.376(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.346(15) . ?
C27 H27 0.9300 . ?
C28 C29 1.382(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.416(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?

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
C1 Pt P2 131.58(16) . . ?
C1 Pt C2 37.6(2) . . ?
P2 Pt C2 168.92(16) . . ?
C1 Pt P1 131.53(16) . . ?
P2 Pt P1 94.99(8) . . ?
C2 Pt P1 96.05(16) . . ?
C1 Pt Fe 43.17(16) . . ?
P2 Pt Fe 95.20(7) . . ?
C2 Pt Fe 74.16(15) . . ?
P1 Pt Fe 164.76(5) . . ?
C3 Re C4 85.8(3) . . ?
C3 Re C1 92.8(3) . . ?
C4 Re C1 106.8(3) . . ?
C3 Re C10 98.6(4) . . ?
C4 Re C10 114.0(5) . . ?
C1 Re C10 138.2(4) . . ?
C3 Re C9 100.7(4) . . ?
C4 Re C9 148.3(4) . . ?
C1 Re C9 103.9(4) . . ?
C10 Re C9 34.6(4) . . ?
C3 Re C11 128.4(5) . . ?
C4 Re C11 93.7(4) . . ?
C1 Re C11 135.6(5) . . ?
C10 Re C11 35.8(4) . . ?
C9 Re C11 57.8(4) . . ?
C3 Re C8 131.4(4) . . ?
C4 Re C8 141.2(4) . . ?
C1 Re C8 84.9(3) . . ?
C10 Re C8 57.7(4) . . ?
C9 Re C8 34.9(4) . . ?
C11 Re C8 56.7(4) . . ?
C3 Re C12 156.0(4) . . ?
C4 Re C12 109.1(5) . . ?
C1 Re C12 100.5(4) . . ?
C10 Re C12 58.4(4) . . ?
C9 Re C12 56.8(4) . . ?
C11 Re C12 35.2(4) . . ?
C8 Re C12 32.4(4) . . ?
C3 Re Fe 103.5(2) . . ?
C4 Re Fe 67.9(2) . . ?
C1 Re Fe 41.50(17) . . ?
C10 Re Fe 157.8(3) . . ?
C9 Re Fe 137.8(4) . . ?
C11 Re Fe 124.0(5) . . ?
C8 Re Fe 106.0(3) . . ?
C12 Re Fe 99.6(3) . . ?
C5 Fe C7 93.1(4) . . ?
C5 Fe C6 99.2(4) . . ?
C7 Fe C6 96.5(4) . . ?
C5 Fe C1 96.6(3) . . ?
C7 Fe C1 108.1(3) . . ?
C6 Fe C1 149.9(3) . . ?
C5 Fe Pt 77.7(3) . . ?
C7 Fe Pt 158.2(3) . . ?
C6 Fe Pt 104.4(3) . . ?
C1 Fe Pt 54.46(19) . . ?
C5 Fe Re 143.4(3) . . ?
C7 Fe Re 91.3(3) . . ?
C6 Fe Re 116.4(3) . . ?
C1 Fe Re 47.89(18) . . ?
Pt Fe Re 84.98(3) . . ?
C2 C1 Fe 130.8(5) . . ?
C2 C1 Re 138.6(5) . . ?
Fe C1 Re 90.6(2) . . ?
C2 C1 Pt 72.8(4) . . ?
Fe C1 Pt 82.4(2) . . ?
Re C1 Pt 119.8(3) . . ?
C1 C2 C25 124.8(6) . . ?
C1 C2 Pt 69.7(3) . . ?
C25 C2 Pt 120.7(4) . . ?
C1 C2 H2 114(4) . . ?
C25 C2 H2 114(4) . . ?
Pt C2 H2 104(4) . . ?
O3 C3 Re 175.5(7) . . ?
O4 C4 Re 168.6(7) . . ?
O5 C5 Fe 177.5(8) . . ?
O6 C6 Fe 174.8(8) . . ?
O7 C7 Fe 178.8(8) . . ?
C12 C8 C9 109.4(11) . . ?
C12 C8 Re 73.9(6) . . ?
C9 C8 Re 70.3(5) . . ?
C12 C8 H8 125.3 . . ?
C9 C8 H8 125.3 . . ?
Re C8 H8 122.1 . . ?
C10 C9 C8 108.6(10) . . ?
C10 C9 Re 72.4(6) . . ?
C8 C9 Re 74.8(6) . . ?
C10 C9 H9 125.7 . . ?
C8 C9 H9 125.7 . . ?
Re C9 H9 119.0 . . ?
C9 C10 C11 106.7(10) . . ?
C9 C10 Re 73.1(6) . . ?
C11 C10 Re 73.1(6) . . ?
C9 C10 H10 126.6 . . ?
C11 C10 H10 126.6 . . ?
Re C10 H10 119.2 . . ?
C12 C11 C10 106.6(10) . . ?
C12 C11 Re 74.1(5) . . ?
C10 C11 Re 71.1(6) . . ?
C12 C11 H11 126.7 . . ?
C10 C11 H11 126.7 . . ?
Re C11 H11 120.0 . . ?
C8 C12 C11 108.7(11) . . ?
C8 C12 Re 73.7(6) . . ?
C11 C12 Re 70.7(6) . . ?
C8 C12 H12 125.7 . . ?
C11 C12 H12 125.7 . . ?
Re C12 H12 121.6 . . ?
O11 P1 O10 105.5(4) . . ?
O11 P1 O9 95.9(4) . . ?
O10 P1 O9 105.2(3) . . ?
O11 P1 Pt 117.8(3) . . ?
O10 P1 Pt 110.2(2) . . ?
O9 P1 Pt 120.3(2) . . ?
C13 O9 P1 122.0(5) . . ?
O9 C13 C14 107.7(6) . . ?
O9 C13 H131 110.2 . . ?
C14 C13 H131 110.2 . . ?
O9 C13 H132 110.2 . . ?
C14 C13 H132 110.2 . . ?
H131 C13 H132 108.5 . . ?
C13 C14 H141 109.5 . . ?
C13 C14 H142 109.5 . . ?
H141 C14 H142 109.5 . . ?
C13 C14 H143 109.5 . . ?
H141 C14 H143 109.5 . . ?
H142 C14 H143 109.5 . . ?
C15 O10 P1 123.4(5) . . ?
O10 C15 C16 107.7(6) . . ?
O10 C15 H151 110.2 . . ?
C16 C15 H151 110.2 . . ?
O10 C15 H152 110.2 . . ?
C16 C15 H152 110.2 . . ?
H151 C15 H152 108.5 . . ?
C15 C16 H161 109.5 . . ?
C15 C16 H162 109.5 . . ?
H161 C16 H162 109.5 . . ?
C15 C16 H163 109.5 . . ?
H161 C16 H163 109.5 . . ?
H162 C16 H163 109.5 . . ?
C181 O11 C182 54.0(17) . . ?
C181 O11 P1 139.7(11) . . ?
C182 O11 P1 152.6(18) . . ?
C182 C17 C181 57.0(18) . . ?
C182 C181 O11 63.1(9) . . ?
C182 C181 C17 48.1(15) . . ?
O11 C181 C17 110.2(14) . . ?
C17 C182 C181 75(3) . . ?
C17 C182 O11 136(3) . . ?
C181 C182 O11 62.9(9) . . ?
O15 P2 O14 101.3(5) . . ?
O15 P2 O13 105.5(5) . . ?
O14 P2 O13 101.7(4) . . ?
O15 P2 Pt 120.8(4) . . ?
O14 P2 Pt 114.2(3) . . ?
O13 P2 Pt 111.2(3) . . ?
C19 O13 P2 128.2(9) . . ?
O13 C19 C20 106.5(10) . . ?
O13 C19 H191 110.4 . . ?
C20 C19 H191 110.4 . . ?
O13 C19 H192 110.4 . . ?
C20 C19 H192 110.4 . . ?
H191 C19 H192 108.6 . . ?
C19 C20 H201 109.5 . . ?
C19 C20 H202 109.5 . . ?
H201 C20 H202 109.5 . . ?
C19 C20 H203 109.5 . . ?
H201 C20 H203 109.5 . . ?
H202 C20 H203 109.5 . . ?
C21 O14 P2 124.4(8) . . ?
O14 C21 C22 103.6(9) . . ?
O14 C21 H211 111.0 . . ?
C22 C21 H211 111.0 . . ?
O14 C21 H212 111.0 . . ?
C22 C21 H212 111.0 . . ?
H211 C21 H212 109.0 . . ?
C21 C22 H221 109.5 . . ?
C21 C22 H222 109.5 . . ?
H221 C22 H222 109.5 . . ?
C21 C22 H223 109.5 . . ?
H221 C22 H223 109.5 . . ?
H222 C22 H223 109.5 . . ?
C23 O15 P2 121.9(7) . . ?
O15 C23 C24 111.0(10) . . ?
O15 C23 H231 109.4 . . ?
C24 C23 H231 109.4 . . ?
O15 C23 H232 109.4 . . ?
C24 C23 H232 109.4 . . ?
H231 C23 H232 108.0 . . ?
C23 C24 H241 109.5 . . ?
C23 C24 H242 109.5 . . ?
H241 C24 H242 109.5 . . ?
C23 C24 H243 109.5 . . ?
H241 C24 H243 109.5 . . ?
H242 C24 H243 109.5 . . ?
C30 C25 C26 118.4(7) . . ?
C30 C25 C2 124.3(6) . . ?
C26 C25 C2 117.3(7) . . ?
C27 C26 C25 120.9(9) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 121.6(9) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C29 119.1(9) . . ?
C27 C28 H28 120.5 . . ?
C29 C28 H28 120.5 . . ?
C28 C29 C30 119.7(10) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C25 C30 C29 120.3(8) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?

_refine_diff_density_max         1.282
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.134



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane and hexane:diethyl ether mixture'
