#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/70/7007009.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7007009
loop_
_publ_author_name
'Scolaro, Luigi Monsù'
'Plutino, Maria Rosaria'
'Romeo, Andrea'
'Romeo, Raffaello'
'Ricciardi, Giampaolo'
'Belviso, Sandra'
'Albinati, Alberto'
_publ_section_title
;
 Platinum(II) complexes bearing 1,1'-bis(diphenylphosphino)ferrocene as
 building blocks for functionalized redox active porphyrins.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2551
_journal_page_last               2559
_journal_paper_doi               10.1039/b516391a
_journal_year                    2006
_chemical_formula_sum            'C35 H31 Cl Fe O0.5 P2 Pt'
_chemical_formula_weight         807.93
_chemical_name_common
(PtMeCl(1,1'-bis(diphenylphosphino)ferrocene)).(0.5H2O)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.17(3)
_cell_angle_beta                 90.62(2)
_cell_angle_gamma                116.28(3)
_cell_formula_units_Z            2
_cell_length_a                   10.490(3)
_cell_length_b                   10.588(2)
_cell_length_c                   16.691(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.0
_cell_volume                     1596.4(9)
_computing_cell_refinement       'MolEN (Enraf-Nonius, 1990)'
_computing_data_collection       'Enraf-Nonius, 1985'
_computing_data_reduction        'MolEN (Enraf-Nonius, 1990)'
_computing_molecular_graphics
'ORTEP for Windows v1.074 (L.J. Farrugia 2001)'
_computing_publication_material
'WinGX v1.64.05(L.J. Farrugia,J. Appl. Cryst.,1999,32, 837)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius CAD4'
_diffrn_measurement_method       'omega/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0192
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6208
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.54
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.039
_exptl_absorpt_correction_T_max  0.9958
_exptl_absorpt_correction_T_min  0.7465
_exptl_absorpt_correction_type   'empirical, Psi scans'
_exptl_absorpt_process_details   'MOLEN (Enraf-Nonius, 1990)'
_exptl_crystal_colour            'deep orange-red'
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.461
_refine_diff_density_min         -1.459
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         6208
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.104
_refine_ls_shift/su_mean         0.032
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0637P)²+7.9867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                5568
_reflns_number_total             6208
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b516391a.txt
_cod_data_source_block           rom5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1596.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C35 H31 Cl Fe O0.50 P2 Pt'
_cod_database_code               7007009
_compound_number                 ' 1 '
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 1.03945(2) 0.52568(2) 0.256022(15) 0.03110(10) Uani 1 1 d . . .
Fe Fe 1.11585(10) 0.15482(11) 0.17038(7) 0.0377(2) Uani 1 1 d . . .
P1 P 0.87810(17) 0.29327(18) 0.19610(11) 0.0315(3) Uani 1 1 d . . .
P2 P 1.22648(17) 0.49036(18) 0.30416(11) 0.0321(3) Uani 1 1 d . . .
Cl1 Cl 1.1692(2) 0.7787(2) 0.31449(18) 0.0633(6) Uani 1 1 d . . .
OW1 O 1.4040(17) 0.4052(17) -0.0626(10) 0.077(4) Uiso 0.50 1 d P . .
C1 C 0.8781(6) 0.5819(6) 0.2156(4) 0.0246(11) Uani 1 1 d . . .
H1A H 0.9019 0.6148 0.1666 0.037 Uiso 1 1 calc R . .
H1B H 0.8754 0.6586 0.2593 0.037 Uiso 1 1 calc R . .
H1C H 0.7858 0.4971 0.2032 0.037 Uiso 1 1 calc R . .
C11 C 0.9193(7) 0.1408(7) 0.1786(4) 0.0360(14) Uani 1 1 d . . .
C12 C 0.9189(8) 0.0466(8) 0.1011(5) 0.0441(16) Uani 1 1 d . . .
H12 H 0.8960 0.0526 0.0486 0.057 Uiso 1 1 calc R . .
C13 C 0.9588(9) -0.0571(8) 0.1165(6) 0.054(2) Uani 1 1 d . . .
H13 H 0.9678 -0.1297 0.0762 0.070 Uiso 1 1 calc R . .
C14 C 0.9828(9) -0.0316(8) 0.2043(6) 0.0507(19) Uani 1 1 d . . .
H14 H 1.0097 -0.0847 0.2315 0.066 Uiso 1 1 calc R . .
C15 C 0.9584(8) 0.0898(8) 0.2429(5) 0.0423(16) Uani 1 1 d . . .
H15 H 0.9664 0.1297 0.3000 0.055 Uiso 1 1 calc R . .
C21 C 1.2628(7) 0.3595(8) 0.2294(4) 0.0364(14) Uani 1 1 d . . .
C22 C 1.2483(8) 0.3418(8) 0.1423(5) 0.0445(17) Uani 1 1 d . . .
H22 H 1.2213 0.3958 0.1159 0.058 Uiso 1 1 calc R . .
C23 C 1.2822(9) 0.2266(10) 0.1019(6) 0.056(2) Uani 1 1 d . . .
H23 H 1.2793 0.1915 0.0447 0.073 Uiso 1 1 calc R . .
C24 C 1.3204(9) 0.1762(10) 0.1638(7) 0.065(3) Uani 1 1 d . . .
H24 H 1.3488 0.1028 0.1549 0.084 Uiso 1 1 calc R . .
C25 C 1.3083(8) 0.2558(9) 0.2421(6) 0.0488(18) Uani 1 1 d . . .
H25 H 1.3268 0.2430 0.2934 0.063 Uiso 1 1 calc R . .
C111 C 0.7261(7) 0.2286(7) 0.2531(4) 0.0332(13) Uani 1 1 d . . .
C112 C 0.6278(7) 0.0783(8) 0.2325(5) 0.0394(15) Uani 1 1 d . . .
H112 H 0.6379 0.0122 0.1880 0.051 Uiso 1 1 calc R . .
C113 C 0.5169(8) 0.0300(9) 0.2784(5) 0.0470(17) Uani 1 1 d . . .
H113 H 0.4517 -0.0691 0.2643 0.061 Uiso 1 1 calc R . .
C114 C 0.5010(8) 0.1250(10) 0.3442(5) 0.0490(18) Uani 1 1 d . . .
H114 H 0.4249 0.0904 0.3743 0.064 Uiso 1 1 calc R . .
C115 C 0.5973(9) 0.2721(10) 0.3663(5) 0.0488(18) Uani 1 1 d . . .
H115 H 0.5869 0.3364 0.4117 0.063 Uiso 1 1 calc R . .
C116 C 0.7092(7) 0.3236(8) 0.3208(5) 0.0403(15) Uani 1 1 d . . .
H116 H 0.7739 0.4230 0.3357 0.052 Uiso 1 1 calc R . .
C121 C 0.8045(8) 0.2688(8) 0.0903(5) 0.0406(15) Uani 1 1 d . . .
C122 C 0.8989(11) 0.3207(12) 0.0349(6) 0.061(2) Uani 1 1 d . . .
H122 H 0.9973 0.3687 0.0524 0.080 Uiso 1 1 calc R . .
C123 C 0.8485(14) 0.3017(13) -0.0453(6) 0.072(3) Uani 1 1 d . . .
H123 H 0.9133 0.3347 -0.0821 0.094 Uiso 1 1 calc R . .
C124 C 0.7044(15) 0.2350(13) -0.0722(6) 0.085(4) Uani 1 1 d . . .
H124 H 0.6707 0.2224 -0.1268 0.111 Uiso 1 1 calc R . .
C125 C 0.6100(14) 0.1868(16) -0.0167(8) 0.099(5) Uani 1 1 d . . .
H125 H 0.5116 0.1434 -0.0334 0.129 Uiso 1 1 calc R . .
C126 C 0.6600(10) 0.2025(13) 0.0622(6) 0.071(3) Uani 1 1 d . . .
H126 H 0.5947 0.1673 0.0983 0.093 Uiso 1 1 calc R . .
C211 C 1.1957(7) 0.4237(7) 0.3961(4) 0.0351(14) Uani 1 1 d . . .
C212 C 1.2979(9) 0.4042(9) 0.4376(6) 0.0502(18) Uani 1 1 d . . .
H212 H 1.3881 0.4329 0.4203 0.065 Uiso 1 1 calc R . .
C213 C 1.2705(10) 0.3446(10) 0.5026(6) 0.058(2) Uani 1 1 d . . .
H213 H 1.3410 0.3316 0.5285 0.075 Uiso 1 1 calc R . .
C214 C 1.1366(12) 0.3027(10) 0.5308(6) 0.063(2) Uani 1 1 d . . .
H214 H 1.1165 0.2609 0.5750 0.082 Uiso 1 1 calc R . .
C215 C 1.0334(10) 0.3254(10) 0.4908(5) 0.055(2) Uani 1 1 d . . .
H215 H 0.9443 0.3002 0.5092 0.071 Uiso 1 1 calc R . .
C216 C 1.0629(8) 0.3840(9) 0.4252(5) 0.0433(16) Uani 1 1 d . . .
H216 H 0.9932 0.3979 0.3992 0.056 Uiso 1 1 calc R . .
C221 C 1.4054(7) 0.6467(8) 0.3370(5) 0.0383(15) Uani 1 1 d . . .
C222 C 1.4371(8) 0.7562(8) 0.4100(5) 0.0449(17) Uani 1 1 d . . .
H222 H 1.3663 0.7503 0.4440 0.058 Uiso 1 1 calc R . .
C223 C 1.5720(9) 0.8743(9) 0.4334(6) 0.053(2) Uani 1 1 d . . .
H223 H 1.5912 0.9464 0.4832 0.070 Uiso 1 1 calc R . .
C224 C 1.6778(9) 0.8869(9) 0.3842(6) 0.054(2) Uani 1 1 d . . .
H224 H 1.7683 0.9672 0.4003 0.070 Uiso 1 1 calc R . .
C225 C 1.6498(9) 0.7815(10) 0.3117(6) 0.058(2) Uani 1 1 d . . .
H225 H 1.7224 0.7892 0.2788 0.075 Uiso 1 1 calc R . .
C226 C 1.5131(8) 0.6606(9) 0.2855(6) 0.0507(19) Uani 1 1 d . . .
H226 H 1.4941 0.5907 0.2347 0.066 Uiso 1 1 calc R . .
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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt P1 85.46(16) . . ?
C1 Pt P2 174.35(15) . . ?
P1 Pt P2 100.19(7) . . ?
C1 Pt Cl1 83.10(16) . . ?
P1 Pt Cl1 168.35(7) . . ?
P2 Pt Cl1 91.26(8) . . ?
C21 Fe C25 41.8(3) . . ?
C21 Fe C11 108.9(3) . . ?
C25 Fe C11 138.2(3) . . ?
C21 Fe C15 108.2(3) . . ?
C25 Fe C15 109.2(4) . . ?
C11 Fe C15 41.9(3) . . ?
C21 Fe C22 41.2(3) . . ?
C25 Fe C22 68.9(4) . . ?
C11 Fe C22 110.4(3) . . ?
C15 Fe C22 137.9(3) . . ?
C21 Fe C12 140.0(3) . . ?
C25 Fe C12 177.5(4) . . ?
C11 Fe C12 41.3(3) . . ?
C15 Fe C12 68.9(3) . . ?
C22 Fe C12 113.6(3) . . ?
C21 Fe C24 69.3(3) . . ?
C25 Fe C24 40.5(4) . . ?
C11 Fe C24 178.2(3) . . ?
C15 Fe C24 138.4(4) . . ?
C22 Fe C24 68.2(4) . . ?
C12 Fe C24 140.1(4) . . ?
C21 Fe C23 69.5(3) . . ?
C25 Fe C23 68.2(4) . . ?
C11 Fe C23 139.8(4) . . ?
C15 Fe C23 177.3(4) . . ?
C22 Fe C23 41.2(3) . . ?
C12 Fe C23 113.8(4) . . ?
C24 Fe C23 39.8(4) . . ?
C21 Fe C13 176.3(3) . . ?
C25 Fe C13 137.8(4) . . ?
C11 Fe C13 69.2(3) . . ?
C15 Fe C13 68.2(3) . . ?
C22 Fe C13 142.2(4) . . ?
C12 Fe C13 40.3(3) . . ?
C24 Fe C13 112.7(3) . . ?
C23 Fe C13 114.0(3) . . ?
C21 Fe C14 136.4(3) . . ?
C25 Fe C14 109.4(4) . . ?
C11 Fe C14 69.5(3) . . ?
C15 Fe C14 40.6(3) . . ?
C22 Fe C14 177.6(3) . . ?
C12 Fe C14 68.0(3) . . ?
C24 Fe C14 111.8(4) . . ?
C23 Fe C14 140.3(3) . . ?
C13 Fe C14 40.2(4) . . ?
C11 P1 C111 99.7(3) . . ?
C11 P1 C121 100.7(3) . . ?
C111 P1 C121 106.6(3) . . ?
C11 P1 Pt 123.4(2) . . ?
C111 P1 Pt 113.0(2) . . ?
C121 P1 Pt 111.6(2) . . ?
C21 P2 C211 104.9(3) . . ?
C21 P2 C221 101.8(3) . . ?
C211 P2 C221 101.6(3) . . ?
C21 P2 Pt 114.1(2) . . ?
C211 P2 Pt 113.4(2) . . ?
C221 P2 Pt 119.2(2) . . ?
C12 C11 C15 106.2(6) . . ?
C12 C11 P1 128.3(6) . . ?
C15 C11 P1 125.5(5) . . ?
C12 C11 Fe 70.1(4) . . ?
C15 C11 Fe 69.7(4) . . ?
P1 C11 Fe 125.3(3) . . ?
C13 C12 C11 109.3(7) . . ?
C13 C12 Fe 71.2(5) . . ?
C11 C12 Fe 68.6(4) . . ?
C12 C13 C14 108.3(7) . . ?
C12 C13 Fe 68.5(4) . . ?
C14 C13 Fe 70.1(5) . . ?
C15 C14 C13 107.6(7) . . ?
C15 C14 Fe 68.1(4) . . ?
C13 C14 Fe 69.7(5) . . ?
C14 C15 C11 108.6(7) . . ?
C14 C15 Fe 71.3(4) . . ?
C11 C15 Fe 68.4(4) . . ?
C22 C21 C25 106.7(6) . . ?
C22 C21 P2 123.3(6) . . ?
C25 C21 P2 129.9(6) . . ?
C22 C21 Fe 70.3(4) . . ?
C25 C21 Fe 69.6(4) . . ?
P2 C21 Fe 124.6(4) . . ?
C21 C22 C23 108.4(8) . . ?
C21 C22 Fe 68.5(4) . . ?
C23 C22 Fe 70.5(5) . . ?
C24 C23 C22 107.8(8) . . ?
C24 C23 Fe 70.4(5) . . ?
C22 C23 Fe 68.3(4) . . ?
C25 C24 C23 108.4(8) . . ?
C25 C24 Fe 68.0(4) . . ?
C23 C24 Fe 69.8(5) . . ?
C24 C25 C21 108.6(8) . . ?
C24 C25 Fe 71.5(5) . . ?
C21 C25 Fe 68.6(4) . . ?
C116 C111 C112 118.6(6) . . ?
C116 C111 P1 121.1(5) . . ?
C112 C111 P1 120.2(5) . . ?
C113 C112 C111 119.6(7) . . ?
C112 C113 C114 121.1(7) . . ?
C115 C114 C113 120.3(7) . . ?
C116 C115 C114 119.8(7) . . ?
C115 C116 C111 120.6(7) . . ?
C126 C121 C122 117.6(8) . . ?
C126 C121 P1 123.8(6) . . ?
C122 C121 P1 118.7(6) . . ?
C123 C122 C121 120.5(9) . . ?
C122 C123 C124 121.1(10) . . ?
C123 C124 C125 118.7(9) . . ?
C126 C125 C124 120.3(11) . . ?
C125 C126 C121 121.9(10) . . ?
C212 C211 C216 117.6(7) . . ?
C212 C211 P2 122.4(6) . . ?
C216 C211 P2 119.9(5) . . ?
C211 C212 C213 122.1(8) . . ?
C212 C213 C214 120.2(8) . . ?
C213 C214 C215 118.3(8) . . ?
C216 C215 C214 120.4(8) . . ?
C215 C216 C211 121.4(8) . . ?
C222 C221 C226 118.2(7) . . ?
C222 C221 P2 121.8(5) . . ?
C226 C221 P2 119.9(6) . . ?
C221 C222 C223 121.1(8) . . ?
C224 C223 C222 120.8(8) . . ?
C225 C224 C223 119.5(8) . . ?
C224 C225 C226 121.2(8) . . ?
C225 C226 C221 119.1(8) . . ?
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 2.177(5) . ?
Pt P1 2.234(2) . ?
Pt P2 2.3232(18) . ?
Pt Cl1 2.333(2) . ?
Fe C21 2.002(7) . ?
Fe C25 2.015(8) . ?
Fe C11 2.010(7) . ?
Fe C15 2.027(7) . ?
Fe C22 2.025(8) . ?
Fe C12 2.030(8) . ?
Fe C24 2.062(8) . ?
Fe C23 2.055(8) . ?
Fe C13 2.065(8) . ?
Fe C14 2.071(8) . ?
P1 C11 1.807(7) . ?
P1 C111 1.817(7) . ?
P1 C121 1.831(8) . ?
P2 C21 1.804(7) . ?
P2 C211 1.815(7) . ?
P2 C221 1.829(7) . ?
C11 C12 1.426(10) . ?
C11 C15 1.443(10) . ?
C12 C13 1.410(12) . ?
C13 C14 1.421(13) . ?
C14 C15 1.423(10) . ?
C21 C22 1.417(10) . ?
C21 C25 1.433(10) . ?
C22 C23 1.434(11) . ?
C23 C24 1.402(15) . ?
C24 C25 1.411(12) . ?
C111 C116 1.388(10) . ?
C111 C112 1.409(10) . ?
C112 C113 1.373(10) . ?
C113 C114 1.363(12) . ?
C114 C115 1.379(12) . ?
C115 C116 1.381(10) . ?
C121 C126 1.376(12) . ?
C121 C122 1.387(11) . ?
C122 C123 1.367(13) . ?
C123 C124 1.368(17) . ?
C124 C125 1.379(18) . ?
C125 C126 1.355(14) . ?
C211 C212 1.386(10) . ?
C211 C216 1.397(10) . ?
C212 C213 1.357(12) . ?
C213 C214 1.398(14) . ?
C214 C215 1.404(14) . ?
C215 C216 1.359(11) . ?
C221 C222 1.377(11) . ?
C221 C226 1.404(10) . ?
C222 C223 1.379(11) . ?
C223 C224 1.366(13) . ?
C224 C225 1.355(13) . ?
C225 C226 1.404(11) . ?
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
C1 Pt P1 C11 169.2(3) . . . . ?
P2 Pt P1 C11 -10.6(3) . . . . ?
Cl1 Pt P1 C11 -179.9(4) . . . . ?
C1 Pt P1 C111 -70.9(3) . . . . ?
P2 Pt P1 C111 109.4(2) . . . . ?
Cl1 Pt P1 C111 -60.0(5) . . . . ?
C1 Pt P1 C121 49.2(3) . . . . ?
P2 Pt P1 C121 -130.5(3) . . . . ?
Cl1 Pt P1 C121 60.1(5) . . . . ?
C1 Pt P2 C21 -132.5(17) . . . . ?
P1 Pt P2 C21 44.7(3) . . . . ?
Cl1 Pt P2 C21 -137.4(3) . . . . ?
C1 Pt P2 C211 107.4(17) . . . . ?
P1 Pt P2 C211 -75.3(2) . . . . ?
Cl1 Pt P2 C211 102.5(2) . . . . ?
C1 Pt P2 C221 -12.1(17) . . . . ?
P1 Pt P2 C221 165.2(3) . . . . ?
Cl1 Pt P2 C221 -16.9(3) . . . . ?
C111 P1 C11 C12 119.4(6) . . . . ?
C121 P1 C11 C12 10.4(7) . . . . ?
Pt P1 C11 C12 -114.6(6) . . . . ?
C111 P1 C11 C15 -59.9(6) . . . . ?
C121 P1 C11 C15 -169.0(6) . . . . ?
Pt P1 C11 C15 66.1(6) . . . . ?
C111 P1 C11 Fe -149.0(4) . . . . ?
C121 P1 C11 Fe 102.0(5) . . . . ?
Pt P1 C11 Fe -23.0(6) . . . . ?
C21 Fe C11 C12 146.8(4) . . . . ?
C25 Fe C11 C12 -176.3(5) . . . . ?
C15 Fe C11 C12 -116.7(6) . . . . ?
C22 Fe C11 C12 102.9(5) . . . . ?
C24 Fe C11 C12 143(13) . . . . ?
C23 Fe C11 C12 66.5(6) . . . . ?
C13 Fe C11 C12 -36.5(5) . . . . ?
C14 Fe C11 C12 -79.6(5) . . . . ?
C21 Fe C11 C15 -96.5(4) . . . . ?
C25 Fe C11 C15 -59.5(6) . . . . ?
C22 Fe C11 C15 -140.4(4) . . . . ?
C12 Fe C11 C15 116.7(6) . . . . ?
C24 Fe C11 C15 -100(13) . . . . ?
C23 Fe C11 C15 -176.8(5) . . . . ?
C13 Fe C11 C15 80.2(5) . . . . ?
C14 Fe C11 C15 37.1(4) . . . . ?
C21 Fe C11 P1 23.3(5) . . . . ?
C25 Fe C11 P1 60.2(7) . . . . ?
C15 Fe C11 P1 119.8(6) . . . . ?
C22 Fe C11 P1 -20.6(6) . . . . ?
C12 Fe C11 P1 -123.5(7) . . . . ?
C24 Fe C11 P1 19(13) . . . . ?
C23 Fe C11 P1 -57.0(7) . . . . ?
C13 Fe C11 P1 -160.0(6) . . . . ?
C14 Fe C11 P1 156.9(6) . . . . ?
C15 C11 C12 C13 -1.0(8) . . . . ?
P1 C11 C12 C13 179.6(6) . . . . ?
Fe C11 C12 C13 59.7(6) . . . . ?
C15 C11 C12 Fe -60.7(5) . . . . ?
P1 C11 C12 Fe 119.9(6) . . . . ?
C21 Fe C12 C13 -174.3(5) . . . . ?
C25 Fe C12 C13 -41(7) . . . . ?
C11 Fe C12 C13 -120.6(7) . . . . ?
C15 Fe C12 C13 -80.8(5) . . . . ?
C22 Fe C12 C13 144.8(5) . . . . ?
C24 Fe C12 C13 61.1(8) . . . . ?
C23 Fe C12 C13 99.7(6) . . . . ?
C14 Fe C12 C13 -37.0(5) . . . . ?
C21 Fe C12 C11 -53.7(6) . . . . ?
C25 Fe C12 C11 80(7) . . . . ?
C15 Fe C12 C11 39.7(4) . . . . ?
C22 Fe C12 C11 -94.6(5) . . . . ?
C24 Fe C12 C11 -178.3(6) . . . . ?
C23 Fe C12 C11 -139.7(5) . . . . ?
C13 Fe C12 C11 120.6(7) . . . . ?
C14 Fe C12 C11 83.5(5) . . . . ?
C11 C12 C13 C14 0.9(9) . . . . ?
Fe C12 C13 C14 59.0(6) . . . . ?
C11 C12 C13 Fe -58.1(5) . . . . ?
C21 Fe C13 C12 96(5) . . . . ?
C25 Fe C13 C12 177.5(5) . . . . ?
C11 Fe C13 C12 37.5(5) . . . . ?
C15 Fe C13 C12 82.6(5) . . . . ?
C22 Fe C13 C12 -59.3(7) . . . . ?
C24 Fe C13 C12 -142.5(6) . . . . ?
C23 Fe C13 C12 -99.0(6) . . . . ?
C14 Fe C13 C12 120.0(7) . . . . ?
C21 Fe C13 C14 -24(5) . . . . ?
C25 Fe C13 C14 57.5(7) . . . . ?
C11 Fe C13 C14 -82.6(5) . . . . ?
C15 Fe C13 C14 -37.5(5) . . . . ?
C22 Fe C13 C14 -179.4(5) . . . . ?
C12 Fe C13 C14 -120.0(7) . . . . ?
C24 Fe C13 C14 97.5(6) . . . . ?
C23 Fe C13 C14 141.0(5) . . . . ?
C12 C13 C14 C15 -0.4(9) . . . . ?
Fe C13 C14 C15 57.6(5) . . . . ?
C12 C13 C14 Fe -58.0(6) . . . . ?
C21 Fe C14 C15 58.1(6) . . . . ?
C25 Fe C14 C15 97.1(5) . . . . ?
C11 Fe C14 C15 -38.2(5) . . . . ?
C22 Fe C14 C15 51(8) . . . . ?
C12 Fe C14 C15 -82.7(5) . . . . ?
C24 Fe C14 C15 140.4(5) . . . . ?
C23 Fe C14 C15 176.1(6) . . . . ?
C13 Fe C14 C15 -119.8(7) . . . . ?
C21 Fe C14 C13 177.9(5) . . . . ?
C25 Fe C14 C13 -143.1(5) . . . . ?
C11 Fe C14 C13 81.6(5) . . . . ?
C15 Fe C14 C13 119.8(7) . . . . ?
C22 Fe C14 C13 170(8) . . . . ?
C12 Fe C14 C13 37.1(5) . . . . ?
C24 Fe C14 C13 -99.7(6) . . . . ?
C23 Fe C14 C13 -64.1(7) . . . . ?
C13 C14 C15 C11 -0.2(9) . . . . ?
Fe C14 C15 C11 58.4(5) . . . . ?
C13 C14 C15 Fe -58.6(6) . . . . ?
C12 C11 C15 C14 0.7(8) . . . . ?
P1 C11 C15 C14 -179.8(5) . . . . ?
Fe C11 C15 C14 -60.2(5) . . . . ?
C12 C11 C15 Fe 61.0(5) . . . . ?
P1 C11 C15 Fe -119.6(5) . . . . ?
C21 Fe C15 C14 -142.0(5) . . . . ?
C25 Fe C15 C14 -97.8(5) . . . . ?
C11 Fe C15 C14 119.7(7) . . . . ?
C22 Fe C15 C14 -177.3(5) . . . . ?
C12 Fe C15 C14 80.5(5) . . . . ?
C24 Fe C15 C14 -63.0(7) . . . . ?
C23 Fe C15 C14 -110(7) . . . . ?
C13 Fe C15 C14 37.1(5) . . . . ?
C21 Fe C15 C11 98.3(4) . . . . ?
C25 Fe C15 C11 142.5(4) . . . . ?
C22 Fe C15 C11 63.0(6) . . . . ?
C12 Fe C15 C11 -39.2(4) . . . . ?
C24 Fe C15 C11 177.3(5) . . . . ?
C23 Fe C15 C11 130(7) . . . . ?
C13 Fe C15 C11 -82.7(5) . . . . ?
C14 Fe C15 C11 -119.7(7) . . . . ?
C211 P2 C21 C22 159.3(6) . . . . ?
C221 P2 C21 C22 -95.1(6) . . . . ?
Pt P2 C21 C22 34.7(7) . . . . ?
C211 P2 C21 C25 -20.1(8) . . . . ?
C221 P2 C21 C25 85.5(7) . . . . ?
Pt P2 C21 C25 -144.8(6) . . . . ?
C211 P2 C21 Fe 71.4(5) . . . . ?
C221 P2 C21 Fe 176.9(4) . . . . ?
Pt P2 C21 Fe -53.3(5) . . . . ?
C25 Fe C21 C22 117.3(6) . . . . ?
C11 Fe C21 C22 -99.7(5) . . . . ?
C15 Fe C21 C22 -144.0(4) . . . . ?
C12 Fe C21 C22 -65.4(6) . . . . ?
C24 Fe C21 C22 80.2(5) . . . . ?
C23 Fe C21 C22 37.5(5) . . . . ?
C13 Fe C21 C22 -157(5) . . . . ?
C14 Fe C21 C22 -179.5(5) . . . . ?
C11 Fe C21 C25 143.0(5) . . . . ?
C15 Fe C21 C25 98.7(5) . . . . ?
C22 Fe C21 C25 -117.3(6) . . . . ?
C12 Fe C21 C25 177.2(5) . . . . ?
C24 Fe C21 C25 -37.1(5) . . . . ?
C23 Fe C21 C25 -79.8(5) . . . . ?
C13 Fe C21 C25 85(5) . . . . ?
C14 Fe C21 C25 63.1(6) . . . . ?
C25 Fe C21 P2 -125.1(7) . . . . ?
C11 Fe C21 P2 17.9(5) . . . . ?
C15 Fe C21 P2 -26.4(5) . . . . ?
C22 Fe C21 P2 117.5(7) . . . . ?
C12 Fe C21 P2 52.1(7) . . . . ?
C24 Fe C21 P2 -162.3(6) . . . . ?
C23 Fe C21 P2 155.0(6) . . . . ?
C13 Fe C21 P2 -40(5) . . . . ?
C14 Fe C21 P2 -62.0(6) . . . . ?
C25 C21 C22 C23 1.0(8) . . . . ?
P2 C21 C22 C23 -178.6(5) . . . . ?
Fe C21 C22 C23 -59.5(5) . . . . ?
C25 C21 C22 Fe 60.4(5) . . . . ?
P2 C21 C22 Fe -119.1(5) . . . . ?
C25 Fe C22 C21 -39.4(4) . . . . ?
C11 Fe C22 C21 95.7(5) . . . . ?
C15 Fe C22 C21 56.3(7) . . . . ?
C12 Fe C22 C21 140.4(4) . . . . ?
C24 Fe C22 C21 -83.0(5) . . . . ?
C23 Fe C22 C21 -119.9(7) . . . . ?
C13 Fe C22 C21 177.7(5) . . . . ?
C14 Fe C22 C21 8(8) . . . . ?
C21 Fe C22 C23 119.9(7) . . . . ?
C25 Fe C22 C23 80.5(6) . . . . ?
C11 Fe C22 C23 -144.3(5) . . . . ?
C15 Fe C22 C23 176.3(6) . . . . ?
C12 Fe C22 C23 -99.7(6) . . . . ?
C24 Fe C22 C23 36.9(5) . . . . ?
C13 Fe C22 C23 -62.4(8) . . . . ?
C14 Fe C22 C23 128(8) . . . . ?
C21 C22 C23 C24 -1.3(9) . . . . ?
Fe C22 C23 C24 -59.5(6) . . . . ?
C21 C22 C23 Fe 58.2(5) . . . . ?
C21 Fe C23 C24 81.9(5) . . . . ?
C25 Fe C23 C24 36.9(5) . . . . ?
C11 Fe C23 C24 177.2(5) . . . . ?
C15 Fe C23 C24 50(8) . . . . ?
C22 Fe C23 C24 119.4(7) . . . . ?
C12 Fe C23 C24 -141.3(5) . . . . ?
C13 Fe C23 C24 -97.1(6) . . . . ?
C14 Fe C23 C24 -57.6(8) . . . . ?
C21 Fe C23 C22 -37.6(5) . . . . ?
C25 Fe C23 C22 -82.5(5) . . . . ?
C11 Fe C23 C22 57.8(7) . . . . ?
C15 Fe C23 C22 -70(8) . . . . ?
C12 Fe C23 C22 99.2(5) . . . . ?
C24 Fe C23 C22 -119.4(7) . . . . ?
C13 Fe C23 C22 143.5(5) . . . . ?
C14 Fe C23 C22 -177.1(5) . . . . ?
C22 C23 C24 C25 1.1(10) . . . . ?
Fe C23 C24 C25 -57.1(6) . . . . ?
C22 C23 C24 Fe 58.2(5) . . . . ?
C21 Fe C24 C25 38.3(5) . . . . ?
C11 Fe C24 C25 42(13) . . . . ?
C15 Fe C24 C25 -56.1(7) . . . . ?
C22 Fe C24 C25 82.7(6) . . . . ?
C12 Fe C24 C25 -176.2(5) . . . . ?
C23 Fe C24 C25 120.8(8) . . . . ?
C13 Fe C24 C25 -138.3(6) . . . . ?
C14 Fe C24 C25 -94.8(6) . . . . ?
C21 Fe C24 C23 -82.5(5) . . . . ?
C25 Fe C24 C23 -120.8(8) . . . . ?
C11 Fe C24 C23 -78(13) . . . . ?
C15 Fe C24 C23 -176.9(5) . . . . ?
C22 Fe C24 C23 -38.1(5) . . . . ?
C12 Fe C24 C23 63.0(8) . . . . ?
C13 Fe C24 C23 100.9(6) . . . . ?
C14 Fe C24 C23 144.4(5) . . . . ?
C23 C24 C25 C21 -0.5(10) . . . . ?
Fe C24 C25 C21 -58.7(5) . . . . ?
C23 C24 C25 Fe 58.2(6) . . . . ?
C22 C21 C25 C24 -0.3(9) . . . . ?
P2 C21 C25 C24 179.2(6) . . . . ?
Fe C21 C25 C24 60.6(6) . . . . ?
C22 C21 C25 Fe -60.8(5) . . . . ?
P2 C21 C25 Fe 118.6(6) . . . . ?
C21 Fe C25 C24 -119.5(8) . . . . ?
C11 Fe C25 C24 -178.2(6) . . . . ?
C15 Fe C25 C24 144.3(6) . . . . ?
C22 Fe C25 C24 -80.7(6) . . . . ?
C12 Fe C25 C24 105(7) . . . . ?
C23 Fe C25 C24 -36.3(6) . . . . ?
C13 Fe C25 C24 65.9(8) . . . . ?
C14 Fe C25 C24 101.2(6) . . . . ?
C11 Fe C25 C21 -58.6(7) . . . . ?
C15 Fe C25 C21 -96.2(5) . . . . ?
C22 Fe C25 C21 38.8(4) . . . . ?
C12 Fe C25 C21 -136(7) . . . . ?
C24 Fe C25 C21 119.5(8) . . . . ?
C23 Fe C25 C21 83.2(5) . . . . ?
C13 Fe C25 C21 -174.6(5) . . . . ?
C14 Fe C25 C21 -139.3(4) . . . . ?
C11 P1 C111 C116 139.9(6) . . . . ?
C121 P1 C111 C116 -115.9(6) . . . . ?
Pt P1 C111 C116 7.1(6) . . . . ?
C11 P1 C111 C112 -36.0(6) . . . . ?
C121 P1 C111 C112 68.3(6) . . . . ?
Pt P1 C111 C112 -168.8(5) . . . . ?
C116 C111 C112 C113 1.2(10) . . . . ?
P1 C111 C112 C113 177.2(6) . . . . ?
C111 C112 C113 C114 -0.6(12) . . . . ?
C112 C113 C114 C115 -0.5(12) . . . . ?
C113 C114 C115 C116 0.9(12) . . . . ?
C114 C115 C116 C111 -0.2(12) . . . . ?
C112 C111 C116 C115 -0.8(11) . . . . ?
P1 C111 C116 C115 -176.7(6) . . . . ?
C11 P1 C121 C126 98.9(8) . . . . ?
C111 P1 C121 C126 -4.6(9) . . . . ?
Pt P1 C121 C126 -128.5(8) . . . . ?
C11 P1 C121 C122 -81.5(7) . . . . ?
C111 P1 C121 C122 174.9(7) . . . . ?
Pt P1 C121 C122 51.1(7) . . . . ?
C126 C121 C122 C123 -1.9(14) . . . . ?
P1 C121 C122 C123 178.5(8) . . . . ?
C121 C122 C123 C124 1.8(17) . . . . ?
C122 C123 C124 C125 0(2) . . . . ?
C123 C124 C125 C126 -2(2) . . . . ?
C124 C125 C126 C121 1(2) . . . . ?
C122 C121 C126 C125 0.3(17) . . . . ?
P1 C121 C126 C125 179.9(11) . . . . ?
C21 P2 C211 C212 58.9(7) . . . . ?
C221 P2 C211 C212 -46.8(7) . . . . ?
Pt P2 C211 C212 -175.9(5) . . . . ?
C21 P2 C211 C216 -118.3(6) . . . . ?
C221 P2 C211 C216 136.0(6) . . . . ?
Pt P2 C211 C216 6.9(6) . . . . ?
C216 C211 C212 C213 2.1(12) . . . . ?
P2 C211 C212 C213 -175.2(7) . . . . ?
C211 C212 C213 C214 -1.1(14) . . . . ?
C212 C213 C214 C215 -0.6(14) . . . . ?
C213 C214 C215 C216 1.3(14) . . . . ?
C214 C215 C216 C211 -0.3(13) . . . . ?
C212 C211 C216 C215 -1.4(11) . . . . ?
P2 C211 C216 C215 176.0(6) . . . . ?
C21 P2 C221 C222 -161.2(6) . . . . ?
C211 P2 C221 C222 -53.1(7) . . . . ?
Pt P2 C221 C222 72.2(7) . . . . ?
C21 P2 C221 C226 21.6(7) . . . . ?
C211 P2 C221 C226 129.7(6) . . . . ?
Pt P2 C221 C226 -104.9(6) . . . . ?
C226 C221 C222 C223 -1.9(12) . . . . ?
P2 C221 C222 C223 -179.1(6) . . . . ?
C221 C222 C223 C224 0.7(12) . . . . ?
C222 C223 C224 C225 -0.3(13) . . . . ?
C223 C224 C225 C226 1.1(14) . . . . ?
C224 C225 C226 C221 -2.3(14) . . . . ?
C222 C221 C226 C225 2.7(12) . . . . ?
P2 C221 C226 C225 179.9(7) . . . . ?
