Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4– (X = Cl, Br) with Acids: Syntheses and molecular structures of [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(μ-OH)SnCl2}2]2– And [Pt7(CO)6(SnBr2)4{Br2Sn(μ-OH)SnBr2}{Br2Sn(μ-Br)SnBr2}]2– Platinum carbonyl clusters decorated by Sn(II)-Fragments
Berti, Beatrice; Bortoluzzi, Marco; Cesari, Cristiana; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano; Inorganica Chimica Acta 503 (2020) 119432–; doi:10.1016/j.ica.2020.119432

data_1565349
_publ_section_title
;
 Reactions of [Pt6(CO)6(SnX2)2(SnX3)4]4-- (X&#x00A0;=&#x00A0;Cl, Br) with
 Acids: Syntheses and molecular structures of
 [Pt12(CO)10(SnCl)2(SnCl2)4{Cl2Sn(\m-OH)SnCl2}2]2-- And
 [Pt7(CO)6(SnBr2)4{Br2Sn(\m-OH)SnBr2}{Br2Sn(\m-Br)SnBr2}]2-- Platinum
 carbonyl clusters decorated by Sn(II)-Fragments
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119432
_journal_paper_doi               10.1016/j.ica.2020.119432
_journal_volume                  503
_journal_year                    2020
_chemical_formula_sum            'C54 H41 Br17 O7 P2 Pt7 Sn8'
_chemical_formula_weight         4537.43
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                67.506(2)
_cell_angle_beta                 75.358(2)
_cell_angle_gamma                76.354(2)
_cell_formula_units_Z            1
_cell_length_a                   12.3712(13)
_cell_length_b                   13.8323(15)
_cell_length_c                   14.2847(16)
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.434
_cell_measurement_theta_min      2.169
_cell_volume                     2158.4(4)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'PHOTON100 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24925
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.098
_diffrn_reflns_theta_max         25.098
_diffrn_reflns_theta_min         1.823
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    21.505
_exptl_absorpt_correction_T_max  0.0556
_exptl_absorpt_correction_T_min  0.0071
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1774 (selected reflections only, before parameter refinement)
 R(int) = 0.0770 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.491
_exptl_crystal_description       prism
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_refine_diff_density_max         3.122
_refine_diff_density_min         -2.700
_refine_diff_density_rms         0.394
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7703
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+26.4923P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1194
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7047
_reflns_number_total             7703
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2020-503-119432.cif
_cod_data_source_block           3
_cod_original_cell_volume        2158.5(4)
_cod_database_code               1565349
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.093
_shelx_estimated_absorpt_t_max   0.182