Luminescent Alkynyl Platinum-Cadmium Complexes: Structural Characterization of an Unusual Decanuclear Cluster [Pt4Cd6(C\τbCPh)4(μ-C\τbCPh)12(μ3-OH)4]
Juan Forniés; Julio Gómez; Elena Lalinde; M. Teresa Moreno; Inorganic Chemistry 40 (2001) 5415–5419; doi:10.1021/ic010433i

data_4320351
_publ_section_title
;
 Luminescent Alkynyl Platinum-Cadmium Complexes: Structural
 Characterization of an Unusual Decanuclear Cluster
 [Pt4Cd6(C\\tbCPh)4(\m-C\\tbCPh)12(\m3-OH)4]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5415
_journal_page_last               5419
_journal_paper_doi               10.1021/ic010433i
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C128 H84 Cd6 O4 Pt4'
_chemical_formula_weight         3140.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000(10)
_cell_angle_beta                 90.0000(10)
_cell_angle_gamma                90.0000(10)
_cell_formula_units_Z            2
_cell_length_a                   16.105(2)
_cell_length_b                   16.105(2)
_cell_length_c                   20.250(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5252.3(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0989
_diffrn_reflns_av_sigmaI/netI    0.0631
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17306
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         3.93
_exptl_absorpt_coefficient_mu    6.547
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2968
_refine_diff_density_max         1.285
_refine_diff_density_min         -0.902
_refine_diff_density_rms         0.173
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.276(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.212
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4629
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0696
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1309P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1867
_refine_ls_wR_factor_ref         0.2038
_reflns_number_gt                4026
_reflns_number_total             4629
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010433i.cif
_cod_data_source_block           IC010433I
_cod_original_cell_volume        5252.2(15)
_cod_database_code               4320351