Unusual Coordination Assemblies from Platinum(II) Thienyl and Bithienyl Complexes
Peili Teo; L. L. Koh; T. S. Andy Hor; Inorganic Chemistry 42 (2003) 7290–7296; doi:10.1021/ic034690u

data_4312431
_publ_section_title
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 Unusual Coordination Assemblies from Platinum(II) Thienyl and Bithienyl
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7290
_journal_page_last               7296
_journal_paper_doi               10.1021/ic034690u
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C165 H129 Cl3 F12 Fe4 N4 O24 P8 Pt4 S4'
_chemical_formula_weight         4265.83
_chemical_name_systematic
; 
 ? 
;
_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_creation_method           SHELXL-97
_cell_angle_alpha                101.189(4)
_cell_angle_beta                 105.355(4)
_cell_angle_gamma                105.829(4)
_cell_formula_units_Z            1
_cell_length_a                   13.081(3)
_cell_length_b                   19.233(4)
_cell_length_c                   20.302(4)
_cell_measurement_reflns_used    1473
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      18.42
_cell_measurement_theta_min      2.20
_cell_volume                     4539.2(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1990
_diffrn_reflns_av_sigmaI/netI    0.2451
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            48149
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    3.614
_exptl_absorpt_correction_T_max  0.8689
_exptl_absorpt_correction_T_min  0.6316
_exptl_absorpt_correction_type   'Sadabs, (sheldrick 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             2098
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.734
_refine_diff_density_min         -2.047
_refine_diff_density_rms         0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1006
_refine_ls_number_reflns         15968
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.2245
_refine_ls_R_factor_gt           0.1064
_refine_ls_shift/su_max          0.761
_refine_ls_shift/su_mean         0.020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1462P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2490
_refine_ls_wR_factor_ref         0.3014
_reflns_number_gt                7017
_reflns_number_total             15968
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034690usi20030619_111517.cif
_cod_data_source_block           3036
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4539.3(15)
_cod_database_code               4312431