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_7037816
_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            'C70 H58 Cl8 O18 P2 Pt10 Sn4'
_chemical_formula_weight         3958.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-12-25 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.388(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.596(4)
_cell_length_b                   18.116(5)
_cell_length_c                   20.422(6)
_cell_measurement_reflns_used    9321
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.505
_cell_measurement_theta_min      2.3385
_cell_volume                     4533(2)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.1189
_diffrn_reflns_av_unetI/netI     0.0893
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31091
_diffrn_reflns_theta_full        23.53
_diffrn_reflns_theta_max         23.53
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    16.769
_exptl_absorpt_correction_T_max  0.2599
_exptl_absorpt_correction_T_min  0.1523
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1653 (selected reflections only, before parameter refinement)
 R(int) = 0.0960 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.900
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3536
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         7.174
_refine_diff_density_min         -4.743
_refine_diff_density_rms         0.586
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         6630
_refine_ls_number_restraints     130
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1667
_refine_ls_R_factor_gt           0.0997
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1515P)^2^+629.2802P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2465
_refine_ls_wR_factor_ref         0.3130
_reflns_number_gt                4164
_reflns_number_total             6630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04696c1.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7037810--7037817.cif.
;
_cod_original_cell_volume        4534(2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7037816