(5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV)
Lundvall, Fredrik; Wragg, David Stephen; Tilset, Mats; Acta Crystallographica Section E 67 (2011) m617–m618; doi:10.1107/S1600536811014085

data_2230075
_publ_section_title
;
 (5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV)
;
_journal_coeditor_code           LR2005
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m617
_journal_page_last               m618
_journal_paper_doi               10.1107/S1600536811014085
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pt (C H3)3 I (C12 H12 N2)]'
_chemical_formula_moiety         'C15 H21 I N2 Pt'
_chemical_formula_sum            'C15 H21 I N2 Pt'
_chemical_formula_weight         551.32
_chemical_name_systematic
;
(5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV)
;
_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                 106.222(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.354(3)
_cell_length_b                   12.394(2)
_cell_length_c                   9.0627(18)
_cell_measurement_reflns_used    7297
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      2.76
_cell_volume                     1655.9(5)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2004)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            18721
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.95
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    10.327
_exptl_absorpt_correction_T_max  0.356
_exptl_absorpt_correction_T_min  0.022
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.817
_refine_diff_density_min         -2.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         4094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                3477
_reflns_number_total             4094
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lr2005.cif
_cod_data_source_block           I
_cod_original_cell_volume        1655.8(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230075
_cod_database_fobs_code          2230075