Platinum carbonyl clusters stabilized by Sn(ii)-based fragments: syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-), [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).
Bortoluzzi, Marco; Ceriotti, Alessandro; Ciabatti, Iacopo; Della Pergola, Roberto; Femoni, Cristina; Carmela Iapalucci, Maria; Storione, Alba; Zacchini, Stefano; Dalton transactions (Cambridge, England : 2003) 45 (2016) 5001–5013; doi:10.1039/c5dt04696c

data_7037810
_publ_section_title
;
 Platinum carbonyl clusters stabilized by Sn(ii)-based fragments:
 syntheses and structures of [Pt6(CO)6(SnCl2)2(SnCl3)4](4-),
 [Pt9(CO)8(SnCl2)3(SnCl3)2(Cl2SnOCOSnCl2)](4-) and
 [Pt10(CO)14{Cl2Sn(OH)SnCl2}2](2.).
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5001
_journal_page_last               5013
_journal_paper_doi               10.1039/c5dt04696c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C48.5 H95 Cl16 N4 O12.5 Pt9 Sn7'
_chemical_formula_weight         4088.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-25 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.774(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   44.6369(16)
_cell_length_b                   13.2659(4)
_cell_length_c                   31.3491(10)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.1935
_cell_measurement_theta_min      2.3545
_cell_volume                     18433.7(10)
_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    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(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_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0808
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            141262
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         1.308
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    15.967
_exptl_absorpt_correction_T_max  0.2307
_exptl_absorpt_correction_T_min  0.1344
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1660 (selected reflections only, before parameter refinement)
 R(int) = 0.0686 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.946
_exptl_crystal_description       prism
_exptl_crystal_F_000             14704
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         4.097
_refine_diff_density_min         -1.716
_refine_diff_density_rms         0.285
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         20115
_refine_ls_number_restraints     232
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0417
_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^)+(0.0301P)^2^+664.4301P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.1032
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15054
_reflns_number_total             20115
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04696c1.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7037810--7037817.cif.'
_cod_original_formula_sum        'C48.50 H95 Cl16 N4 O12.50 Pt9 Sn7'
_cod_database_code               7037810
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.134
_shelx_estimated_absorpt_t_max   0.231
_shelx_res_checksum              42081