Simple Preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n= 1, 2 (Q = TBA+, PPN+) and Structural Characterization of [TBA][Pt2Cl9] and [PPN]2[Pt2Cl10].C7H8
Daniela Belli Dell'Amico; Fausto Calderazzo; Fabio Marchetti; Stefano Ramello; Simona Samaritani; Inorganic Chemistry 47 (2008) 1237–1242; doi:10.1021/ic701932u

data_4304433
_publ_contact_author
;
      Belli Dell''Amico, Daniela 
      Dipartimento di Chimica e Chimica Industriale
      Universit\`a di Pisa
      Via Risorgimento,  35
      56126  Pisa
      Italy
;
_publ_contact_author_email       belli@dcci.unipi.it
_publ_contact_author_fax         39()0502219246
_publ_contact_author_phone       39()0502219206
_publ_section_title
;
Simple Preparations of Pd6Cl12, Pt6Cl12, and Qn[Pt2Cl8+n], n= 1, 2 (Q =
TBA+, PPN+) and Structural Characterization of [TBA][Pt2Cl9] and
[PPN]2[Pt2Cl10].C7H8
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1237
_journal_page_last               1242
_journal_paper_doi               10.1021/ic701932u
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C16 H36 N,  Cl9 Pt2'
_chemical_formula_sum            'C16 H36 Cl9 N Pt2'
_chemical_formula_weight         951.69
_chemical_name_systematic
;
Tetrabutyammonium tris(\m~2~-chloro)-bis(trichloro-platinum(iv))
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 111.860(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.637(2)
_cell_length_b                   11.1555(19)
_cell_length_c                   14.006(2)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.502
_cell_measurement_theta_min      5.39
_cell_volume                     1542.5(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WINGX-1.64 (Farrugia, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2\q/\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0753
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            2785
_diffrn_reflns_theta_full        22.47
_diffrn_reflns_theta_max         22.47
_diffrn_reflns_theta_min         2.06
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.845
_exptl_absorpt_correction_T_max  0.250
_exptl_absorpt_correction_T_min  0.074
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            ruby-red
_exptl_crystal_density_diffrn    2.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.033
_refine_diff_density_min         -0.978
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     121
_refine_ls_number_reflns         2109
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1217
_refine_ls_R_factor_gt           0.0654
_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^)+(0.1055P)^2^+2.6084P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1567
_refine_ls_wR_factor_ref         0.1881
_reflns_number_gt                1275
_reflns_number_total             2109
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701932u-file001_2.cif
_cod_data_source_block           pt2cl9
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4304433