Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts
Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra; Journal of the American Chemical Society 133 (2011) 2406–2409; doi:10.1021/ja111235v

data_4105696
_publ_section_title
;
 Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by
 [Cd5(\m-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of
 Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their
 Electron Counts
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2406
_journal_page_last               2409
_journal_paper_doi               10.1021/ja111235v
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C65 H121 Br14 Cd10 N9 O19 Pt13'
_chemical_formula_weight         6111.62
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.2960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.1251(14)
_cell_length_b                   15.6936(9)
_cell_length_c                   32.851(2)
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.0475
_cell_measurement_theta_min      2.2745
_cell_volume                     12712.2(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(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  0.0561
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            64702
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    20.321
_exptl_absorpt_correction_T_max  0.1942
_exptl_absorpt_correction_T_min  0.1394
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.193
_exptl_crystal_description       prism
_exptl_crystal_F_000             10840
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.302
_refine_diff_density_min         -1.387
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         12508
_refine_ls_number_restraints     405
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0210P)^2^+262.4478P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                9039
_reflns_number_total             12508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja111235v_si_001.cif
_cod_data_source_block           c2c
_cod_original_cell_volume        12712.3(14)
_cod_database_code               4105696