N,N'-Dialkylimidazolium Chloroplatinate(II), Chloroplatinate(IV), and Chloroiridate(IV) Salts and an N-Heterocyclic Carbene Complex of Platinum(II): Synthesis in Ionic Liquids and Crystal Structures
Masihul Hasan; Ivan V. Kozhevnikov; M. Rafiq H. Siddiqui; Cristina Femoni; Alexander Steiner; Neil Winterton; Inorganic Chemistry 40 (2001) 795–800; doi:10.1021/ic000606o

data_4319233
_publ_section_title
;
 N,N'-Dialkylimidazolium Chloroplatinate(II), Chloroplatinate(IV), and
 Chloroiridate(IV) Salts and an N-Heterocyclic Carbene Complex of
 Platinum(II): Synthesis in Ionic Liquids and Crystal Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              795
_journal_page_last               800
_journal_paper_doi               10.1021/ic000606o
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C8 H14 Cl2 N2 Pt'
_chemical_formula_weight         404.23
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 101.525(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4156(15)
_cell_length_b                   7.3421(9)
_cell_length_c                   15.613(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1169.9(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  Stoe-IPDS
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0838
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1519
_diffrn_reflns_theta_full        22.48
_diffrn_reflns_theta_max         22.48
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    11.924
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.505
_exptl_absorpt_correction_type   face-indexing
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.175
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.150
_refine_ls_extinction_coef       0.00035(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                1016
_reflns_number_total             1519
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000606o.cif
_cod_data_source_block           PtC2H4
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               4319233