#------------------------------------------------------------------------------
#$Date: 2018-08-20 17:01:25 +0300 (Mon, 20 Aug 2018) $
#$Revision: 209991 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/23/4302330.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_4302330
loop_
_publ_author_name
'Berenguer, Jesús R'
'Gil, Belén'
'Fernández, Julio'
'Forniés, Juan'
'Lalinde, Elena'
_publ_section_title
;
 Self-Assembly of Luminescent Alkynyl-Based Platinum--Cadmium Complexes
 Containing Auxiliary Diimine or Terpyridine Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5250
_journal_page_last               5262
_journal_paper_doi               10.1021/ic9002109
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C49 H33 Cd F10 N3 O2 Pt'
_chemical_formula_weight         1193.27
_chemical_name_common            gi124
_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     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2004-01-07T12:33:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                116.1620(10)
_cell_angle_beta                 92.1180(10)
_cell_angle_gamma                113.7240(10)
_cell_formula_units_Z            2
_cell_length_a                   12.5370(2)
_cell_length_b                   14.1520(2)
_cell_length_c                   15.6139(3)
_cell_measurement_reflns_used    35529
_cell_measurement_temperature    293(2)
_cell_volume                     2197.53(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.0432582
_diffrn_orient_matrix_UB_12      -0.0221133
_diffrn_orient_matrix_UB_13      -0.0521692
_diffrn_orient_matrix_UB_21      0.0769429
_diffrn_orient_matrix_UB_22      0.0725548
_diffrn_orient_matrix_UB_23      0.0456969
_diffrn_orient_matrix_UB_31      0.0188096
_diffrn_orient_matrix_UB_32      -0.0465923
_diffrn_orient_matrix_UB_33      0.0255661
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_av_unetI/netI     0.0677
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            33628
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.56
_exptl_absorpt_coefficient_mu    3.75
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        multi-scan from symmetry-related measurements
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.296
_refine_diff_density_min         -1.415
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         10058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0375P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                7979
_reflns_number_total             10058
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4338561
_cod_data_source_file            ic9002109_si_002_4.cif
_cod_data_source_block           4a_2acetone
_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        2197.53(6)
_cod_database_code               4302330
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
Pt1 Pt 0.813473(14) 0.168276(14) 0.225281(11) 0.02500(6) Uani 1 1 d . . .
Cd1 Cd 1.07888(3) 0.26138(3) 0.30002(2) 0.02640(8) Uani 1 1 d . . .
F1 F 0.7172(2) 0.1980(2) 0.04796(18) 0.0419(6) Uani 1 1 d . . .
F2 F 0.5756(3) 0.2918(3) 0.0316(2) 0.0551(8) Uani 1 1 d . . .
F3 F 0.4948(3) 0.3979(3) 0.1871(2) 0.0618(8) Uani 1 1 d . . .
F4 F 0.5651(3) 0.4154(3) 0.3636(2) 0.0619(8) Uani 1 1 d . . .
F5 F 0.7068(2) 0.3235(2) 0.38191(19) 0.0464(7) Uani 1 1 d . . .
F6 F 0.5323(2) -0.0114(2) 0.10900(17) 0.0340(6) Uani 1 1 d . . .
F7 F 0.3487(2) -0.1427(2) 0.15460(19) 0.0416(6) Uani 1 1 d . . .
F8 F 0.3821(2) -0.1418(2) 0.3282(2) 0.0519(7) Uani 1 1 d . . .
F9 F 0.6054(3) -0.0032(3) 0.4572(2) 0.0540(7) Uani 1 1 d . . .
F10 F 0.7900(2) 0.1317(2) 0.41548(18) 0.0440(6) Uani 1 1 d . . .
O1 O 1.1944(3) 0.4794(3) 0.3794(2) 0.0347(7) Uani 1 1 d . . .
O2 O 0.6507(4) 0.6936(4) 0.2513(3) 0.0847(14) Uani 1 1 d . . .
N1 N 1.0748(3) 0.3252(3) 0.4649(2) 0.0279(8) Uani 1 1 d . . .
N2 N 1.2203(3) 0.2372(3) 0.3783(2) 0.0264(8) Uani 1 1 d . . .
N3 N 1.1811(3) 0.1778(3) 0.1878(3) 0.0306(8) Uani 1 1 d . . .
C1 C 0.7178(3) 0.2537(3) 0.2152(3) 0.0242(9) Uani 1 1 d . . .
C2 C 0.6822(4) 0.2510(4) 0.1290(3) 0.0289(9) Uani 1 1 d . . .
C3 C 0.6091(4) 0.2986(4) 0.1186(3) 0.0361(11) Uani 1 1 d . . .
C4 C 0.5690(4) 0.3534(4) 0.1967(4) 0.0409(12) Uani 1 1 d . . .
C5 C 0.6022(4) 0.3592(4) 0.2837(4) 0.0398(11) Uani 1 1 d . . .
C6 C 0.6763(4) 0.3113(4) 0.2920(3) 0.0326(10) Uani 1 1 d . . .
C7 C 0.6714(4) 0.0669(3) 0.2596(3) 0.0257(9) Uani 1 1 d . . .
C8 C 0.5560(4) -0.0059(4) 0.1972(3) 0.0269(9) Uani 1 1 d . . .
C9 C 0.4590(4) -0.0756(4) 0.2182(3) 0.0306(10) Uani 1 1 d . . .
C10 C 0.4755(4) -0.0748(4) 0.3059(3) 0.0354(11) Uani 1 1 d . . .
C11 C 0.5881(4) -0.0049(4) 0.3703(3) 0.0341(10) Uani 1 1 d . . .
C12 C 0.6822(4) 0.0634(4) 0.3469(3) 0.0321(10) Uani 1 1 d . . .
C13 C 0.8932(4) 0.0733(4) 0.2338(3) 0.0292(9) Uani 1 1 d . . .
C14 C 0.9393(4) 0.0164(4) 0.2419(3) 0.0327(10) Uani 1 1 d . . .
C15 C 0.9921(4) -0.0532(4) 0.2514(4) 0.0455(13) Uani 1 1 d . . .
C16 C 1.0004(5) -0.0632(5) 0.3345(5) 0.0618(16) Uani 1 1 d . . .
H16 H 0.9698 -0.0269 0.3854 0.074 Uiso 1 1 calc R . .
C17 C 1.0565(6) -0.1298(6) 0.3415(7) 0.088(2) Uani 1 1 d . . .
H17 H 1.064 -0.1359 0.3981 0.106 Uiso 1 1 calc R . .
C18 C 1.0999(6) -0.1854(7) 0.2652(9) 0.107(4) Uani 1 1 d . . .
H18 H 1.1363 -0.2292 0.2702 0.129 Uiso 1 1 calc R . .
C19 C 1.0892(6) -0.1760(6) 0.1833(8) 0.100(3) Uani 1 1 d . . .
H19 H 1.118 -0.2146 0.1319 0.12 Uiso 1 1 calc R . .
C20 C 1.0369(4) -0.1110(4) 0.1735(5) 0.0663(18) Uani 1 1 d . . .
H20 H 1.0311 -0.1052 0.1167 0.08 Uiso 1 1 calc R . .
C21 C 0.9478(4) 0.2698(4) 0.1897(3) 0.0292(9) Uani 1 1 d . . .
C22 C 1.0303(4) 0.3344(4) 0.1711(3) 0.0283(9) Uani 1 1 d . . .
C23 C 1.1179(4) 0.4177(4) 0.1484(3) 0.0334(10) Uani 1 1 d . . .
C24 C 1.0850(5) 0.4809(4) 0.1149(4) 0.0463(12) Uani 1 1 d . . .
H24 H 1.0051 0.4659 0.1033 0.056 Uiso 1 1 calc R . .
C25 C 1.1715(6) 0.5663(5) 0.0988(4) 0.0596(16) Uani 1 1 d . . .
H25 H 1.1491 0.6094 0.0777 0.072 Uiso 1 1 calc R . .
C26 C 1.2880(5) 0.5876(4) 0.1134(4) 0.0564(15) Uani 1 1 d . . .
H26 H 1.3447 0.6444 0.1016 0.068 Uiso 1 1 calc R . .
C27 C 1.3225(5) 0.5256(4) 0.1455(4) 0.0509(13) Uani 1 1 d . . .
H27 H 1.4026 0.5409 0.1562 0.061 Uiso 1 1 calc R . .
C28 C 1.2379(4) 0.4405(4) 0.1619(3) 0.0396(11) Uani 1 1 d . . .
H28 H 1.2614 0.3976 0.1824 0.048 Uiso 1 1 calc R . .
C29 C 1.0103(4) 0.3797(4) 0.5089(3) 0.0344(10) Uani 1 1 d . . .
H29 H 0.9547 0.3818 0.4697 0.041 Uiso 1 1 calc R . .
C30 C 1.0224(4) 0.4323(4) 0.6089(3) 0.0383(11) Uani 1 1 d . . .
H30 H 0.9774 0.4712 0.6366 0.046 Uiso 1 1 calc R . .
C31 C 1.1013(4) 0.4271(4) 0.6672(3) 0.0388(11) Uani 1 1 d . . .
H31 H 1.1112 0.4627 0.7352 0.047 Uiso 1 1 calc R . .
C32 C 1.1658(4) 0.3682(4) 0.6237(3) 0.0354(10) Uani 1 1 d . . .
H32 H 1.2179 0.361 0.6616 0.042 Uiso 1 1 calc R . .
C33 C 1.1521(3) 0.3196(3) 0.5222(3) 0.0285(9) Uani 1 1 d . . .
C34 C 1.2215(4) 0.2567(3) 0.4701(3) 0.0267(9) Uani 1 1 d . . .
C35 C 1.2820(4) 0.2187(4) 0.5139(3) 0.0376(11) Uani 1 1 d . . .
H35 H 1.283 0.2329 0.5781 0.045 Uiso 1 1 calc R . .
C36 C 1.3404(4) 0.1590(4) 0.4576(4) 0.0448(12) Uani 1 1 d . . .
H36 H 1.3813 0.1318 0.4841 0.054 Uiso 1 1 calc R . .
C37 C 1.3388(4) 0.1394(4) 0.3638(4) 0.0391(11) Uani 1 1 d . . .
H37 H 1.3793 0.1001 0.3269 0.047 Uiso 1 1 calc R . .
C38 C 1.2771(4) 0.1781(4) 0.3240(3) 0.0293(9) Uani 1 1 d . . .
C39 C 1.2601(4) 0.1521(4) 0.2202(3) 0.0296(9) Uani 1 1 d . . .
C40 C 1.3188(4) 0.0980(4) 0.1565(4) 0.0411(12) Uani 1 1 d . . .
H40 H 1.3764 0.0837 0.1804 0.049 Uiso 1 1 calc R . .
C41 C 1.2913(5) 0.0660(4) 0.0586(4) 0.0476(13) Uani 1 1 d . . .
H41 H 1.3299 0.0298 0.0158 0.057 Uiso 1 1 calc R . .
C42 C 1.2068(5) 0.0877(4) 0.0248(4) 0.0461(12) Uani 1 1 d . . .
H42 H 1.1849 0.0649 -0.0415 0.055 Uiso 1 1 calc R . .
C43 C 1.1544(4) 0.1453(4) 0.0926(4) 0.0426(12) Uani 1 1 d . . .
H43 H 1.0979 0.1617 0.0702 0.051 Uiso 1 1 calc R . .
C44 C 1.2965(4) 0.5572(4) 0.3999(3) 0.0329(10) Uani 1 1 d . . .
C45 C 1.3197(5) 0.6796(4) 0.4215(4) 0.0473(13) Uani 1 1 d . . .
H45A H 1.352 0.6944 0.3713 0.071 Uiso 1 1 calc R . .
H45B H 1.3766 0.7381 0.4847 0.071 Uiso 1 1 calc R . .
H45C H 1.2455 0.6843 0.4221 0.071 Uiso 1 1 calc R . .
C46 C 1.4033(4) 0.5345(4) 0.4027(4) 0.0519(14) Uani 1 1 d . . .
H46A H 1.3764 0.4532 0.3858 0.078 Uiso 1 1 calc R . .
H46B H 1.4571 0.5864 0.4679 0.078 Uiso 1 1 calc R . .
H46C H 1.4449 0.5495 0.356 0.078 Uiso 1 1 calc R . .
C47 C 0.6788(4) 0.6894(4) 0.1780(4) 0.0475(13) Uani 1 1 d . . .
C48 C 0.6451(5) 0.7462(5) 0.1291(5) 0.0717(18) Uani 1 1 d . . .
H48A H 0.5903 0.7734 0.1595 0.108 Uiso 1 1 calc R . .
H48B H 0.6069 0.6894 0.0603 0.108 Uiso 1 1 calc R . .
H48C H 0.7163 0.8127 0.1359 0.108 Uiso 1 1 calc R . .
C49 C 0.7505(6) 0.6269(5) 0.1336(4) 0.0711(17) Uani 1 1 d . . .
H49A H 0.8245 0.6615 0.1816 0.107 Uiso 1 1 calc R . .
H49B H 0.7683 0.6348 0.0772 0.107 Uiso 1 1 calc R . .
H49C H 0.705 0.5441 0.1135 0.107 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
C21 Pt1 C13 95.52(15) . . ?
C21 Pt1 C7 177.51(15) . . ?
C13 Pt1 C7 86.87(15) . . ?
C21 Pt1 C1 89.17(15) . . ?
C13 Pt1 C1 175.01(15) . . ?
C7 Pt1 C1 88.42(15) . . ?
C21 Pt1 Cd1 53.17(11) . . ?
C13 Pt1 Cd1 54.17(11) . . ?
C7 Pt1 Cd1 129.15(11) . . ?
C1 Pt1 Cd1 130.62(10) . . ?
N1 Cd1 N2 70.36(11) . . ?
N1 Cd1 N3 139.44(12) . . ?
N2 Cd1 N3 69.08(12) . . ?
N1 Cd1 C21 121.51(12) . . ?
N2 Cd1 C21 168.13(12) . . ?
N3 Cd1 C21 99.05(13) . . ?
N1 Cd1 C13 95.06(13) . . ?
N2 Cd1 C13 104.74(13) . . ?
N3 Cd1 C13 94.49(13) . . ?
C21 Cd1 C13 75.60(14) . . ?
N1 Cd1 O1 76.83(11) . . ?
N2 Cd1 O1 95.96(10) . . ?
N3 Cd1 O1 107.89(10) . . ?
C21 Cd1 O1 87.41(12) . . ?
C13 Cd1 O1 153.85(11) . . ?
N1 Cd1 Pt1 94.65(8) . . ?
N2 Cd1 Pt1 143.54(8) . . ?
N3 Cd1 Pt1 117.98(8) . . ?
C21 Cd1 Pt1 41.82(10) . . ?
C13 Cd1 Pt1 41.85(10) . . ?
O1 Cd1 Pt1 113.23(7) . . ?
C44 O1 Cd1 140.4(3) . . ?
C29 N1 C33 117.6(4) . . ?
C29 N1 Cd1 123.9(3) . . ?
C33 N1 Cd1 118.0(3) . . ?
C34 N2 C38 120.5(3) . . ?
C34 N2 Cd1 118.0(2) . . ?
C38 N2 Cd1 119.5(3) . . ?
C43 N3 C39 118.8(4) . . ?
C43 N3 Cd1 122.8(3) . . ?
C39 N3 Cd1 118.0(3) . . ?
C6 C1 C2 114.1(3) . . ?
C6 C1 Pt1 122.7(3) . . ?
C2 C1 Pt1 123.1(3) . . ?
F1 C2 C3 116.0(4) . . ?
F1 C2 C1 120.3(3) . . ?
C3 C2 C1 123.7(4) . . ?
F2 C3 C4 119.1(4) . . ?
F2 C3 C2 121.1(4) . . ?
C4 C3 C2 119.8(4) . . ?
F3 C4 C5 120.5(4) . . ?
F3 C4 C3 120.6(4) . . ?
C5 C4 C3 118.8(4) . . ?
C4 C5 F4 120.0(4) . . ?
C4 C5 C6 120.0(4) . . ?
F4 C5 C6 119.9(4) . . ?
F5 C6 C1 120.6(4) . . ?
F5 C6 C5 115.9(4) . . ?
C1 C6 C5 123.5(4) . . ?
C8 C7 C12 113.6(4) . . ?
C8 C7 Pt1 123.1(3) . . ?
C12 C7 Pt1 123.3(3) . . ?
F6 C8 C9 115.7(4) . . ?
F6 C8 C7 120.0(3) . . ?
C9 C8 C7 124.3(4) . . ?
F7 C9 C10 119.7(4) . . ?
F7 C9 C8 121.0(4) . . ?
C10 C9 C8 119.2(4) . . ?
F8 C10 C11 120.7(4) . . ?
F8 C10 C9 120.3(4) . . ?
C11 C10 C9 118.9(4) . . ?
F9 C11 C10 119.5(4) . . ?
F9 C11 C12 120.4(4) . . ?
C10 C11 C12 120.1(4) . . ?
F10 C12 C11 116.3(4) . . ?
F10 C12 C7 119.9(4) . . ?
C11 C12 C7 123.8(4) . . ?
C14 C13 Pt1 177.5(4) . . ?
C14 C13 Cd1 96.7(3) . . ?
Pt1 C13 Cd1 83.98(14) . . ?
C13 C14 C15 178.9(4) . . ?
C16 C15 C20 119.9(5) . . ?
C16 C15 C14 121.1(5) . . ?
C20 C15 C14 119.0(5) . . ?
C15 C16 C17 118.9(6) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C18 C17 C16 120.6(7) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 119.6(7) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 122.0(8) . . ?
C18 C19 H19 119 . . ?
C20 C19 H19 119 . . ?
C19 C20 C15 119.0(7) . . ?
C19 C20 H20 120.5 . . ?
C15 C20 H20 120.5 . . ?
C22 C21 Pt1 178.0(4) . . ?
C22 C21 Cd1 94.3(3) . . ?
Pt1 C21 Cd1 85.01(15) . . ?
C21 C22 C23 172.4(4) . . ?
C24 C23 C28 117.9(4) . . ?
C24 C23 C22 120.4(4) . . ?
C28 C23 C22 121.6(4) . . ?
C23 C24 C25 120.2(5) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 120.8(5) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 120.1(5) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C28 119.9(5) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C27 C28 C23 121.1(5) . . ?
C27 C28 H28 119.4 . . ?
C23 C28 H28 119.4 . . ?
N1 C29 C30 123.2(4) . . ?
N1 C29 H29 118.4 . . ?
C30 C29 H29 118.4 . . ?
C31 C30 C29 119.2(4) . . ?
C31 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C30 C31 C32 118.9(4) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C31 C32 C33 119.1(4) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
N1 C33 C32 121.9(4) . . ?
N1 C33 C34 116.0(4) . . ?
C32 C33 C34 122.1(4) . . ?
N2 C34 C35 121.8(4) . . ?
N2 C34 C33 115.9(3) . . ?
C35 C34 C33 122.3(4) . . ?
C36 C35 C34 117.0(4) . . ?
C36 C35 H35 121.5 . . ?
C34 C35 H35 121.5 . . ?
C37 C36 C35 120.9(4) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C36 C37 C38 119.6(4) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
N2 C38 C37 120.1(4) . . ?
N2 C38 C39 115.6(3) . . ?
C37 C38 C39 124.1(4) . . ?
N3 C39 C40 120.6(4) . . ?
N3 C39 C38 117.0(3) . . ?
C40 C39 C38 122.4(4) . . ?
C41 C40 C39 119.9(4) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C40 119.3(4) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C41 C42 C43 118.0(5) . . ?
C41 C42 H42 121 . . ?
C43 C42 H42 121 . . ?
N3 C43 C42 123.3(5) . . ?
N3 C43 H43 118.4 . . ?
C42 C43 H43 118.4 . . ?
O1 C44 C46 121.6(4) . . ?
O1 C44 C45 120.8(4) . . ?
C46 C44 C45 117.6(4) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O2 C47 C48 121.7(5) . . ?
O2 C47 C49 120.2(5) . . ?
C48 C47 C49 118.1(5) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
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 C21 2.008(4) . ?
Pt1 C13 2.013(4) . ?
Pt1 C7 2.052(4) . ?
Pt1 C1 2.061(4) . ?
Pt1 Cd1 2.9998(3) . ?
Cd1 N1 2.334(3) . ?
Cd1 N2 2.335(3) . ?
Cd1 N3 2.382(3) . ?
Cd1 C21 2.410(4) . ?
Cd1 C13 2.446(4) . ?
Cd1 O1 2.461(3) . ?
F1 C2 1.352(4) . ?
F2 C3 1.356(5) . ?
F3 C4 1.354(5) . ?
F4 C5 1.368(5) . ?
F5 C6 1.357(5) . ?
F6 C8 1.359(4) . ?
F7 C9 1.345(5) . ?
F8 C10 1.349(5) . ?
F9 C11 1.354(5) . ?
F10 C12 1.355(5) . ?
O1 C44 1.215(5) . ?
O2 C47 1.193(6) . ?
N1 C29 1.339(5) . ?
N1 C33 1.344(5) . ?
N2 C34 1.334(5) . ?
N2 C38 1.350(5) . ?
N3 C43 1.329(6) . ?
N3 C39 1.336(5) . ?
C1 C6 1.378(5) . ?
C1 C2 1.380(5) . ?
C2 C3 1.379(6) . ?
C3 C4 1.365(6) . ?
C4 C5 1.362(6) . ?
C5 C6 1.384(6) . ?
C7 C8 1.384(5) . ?
C7 C12 1.389(6) . ?
C8 C9 1.381(5) . ?
C9 C10 1.373(6) . ?
C10 C11 1.369(6) . ?
C11 C12 1.373(6) . ?
C13 C14 1.208(5) . ?
C14 C15 1.441(6) . ?
C15 C16 1.370(7) . ?
C15 C20 1.416(7) . ?
C16 C17 1.419(8) . ?
C16 H16 0.93 . ?
C17 C18 1.379(11) . ?
C17 H17 0.93 . ?
C18 C19 1.350(12) . ?
C18 H18 0.93 . ?
C19 C20 1.380(8) . ?
C19 H19 0.93 . ?
C20 H20 0.93 . ?
C21 C22 1.220(6) . ?
C22 C23 1.442(6) . ?
C23 C24 1.390(6) . ?
C23 C28 1.392(6) . ?
C24 C25 1.391(7) . ?
C24 H24 0.93 . ?
C25 C26 1.355(7) . ?
C25 H25 0.93 . ?
C26 C27 1.374(7) . ?
C26 H26 0.93 . ?
C27 C28 1.380(6) . ?
C27 H27 0.93 . ?
C28 H28 0.93 . ?
C29 C30 1.371(6) . ?
C29 H29 0.93 . ?
C30 C31 1.365(6) . ?
C30 H30 0.93 . ?
C31 C32 1.377(6) . ?
C31 H31 0.93 . ?
C32 C33 1.391(6) . ?
C32 H32 0.93 . ?
C33 C34 1.499(5) . ?
C34 C35 1.394(6) . ?
C35 C36 1.384(6) . ?
C35 H35 0.93 . ?
C36 C37 1.364(7) . ?
C36 H36 0.93 . ?
C37 C38 1.375(6) . ?
C37 H37 0.93 . ?
C38 C39 1.481(6) . ?
C39 C40 1.397(6) . ?
C40 C41 1.372(7) . ?
C40 H40 0.93 . ?
C41 C42 1.364(7) . ?
C41 H41 0.93 . ?
C42 C43 1.392(6) . ?
C42 H42 0.93 . ?
C43 H43 0.93 . ?
C44 C46 1.500(6) . ?
C44 C45 1.508(6) . ?
C45 H45A 0.96 . ?
C45 H45B 0.96 . ?
C45 H45C 0.96 . ?
C46 H46A 0.96 . ?
C46 H46B 0.96 . ?
C46 H46C 0.96 . ?
C47 C48 1.483(7) . ?
C47 C49 1.488(7) . ?
C48 H48A 0.96 . ?
C48 H48B 0.96 . ?
C48 H48C 0.96 . ?
C49 H49A 0.96 . ?
C49 H49B 0.96 . ?
C49 H49C 0.96 . ?
