Reversibly reducible cis-dichloroplatinum(II) and cis-dichloropalladium(II) complexes of bis(1-methylimidazol-2-yl)glyoxal.
Bulak, Ece; Leboschka, Markus; Schwederski, Brigitte; Sarper, Orkan; Varnali, Tereza; Fiedler, Jan; Lissner, Falk; Schleid, Thomas; Kaim, Wolfgang; Inorganic chemistry 46 (2007) 5562–5566; doi:10.1021/ic070185b

data_4333234
_publ_section_title
;
 Reversibly reducible cis-dichloroplatinum(II) and
 cis-dichloropalladium(II) complexes of bis(1-methylimidazol-2-yl)glyoxal.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5562
_journal_page_last               5566
_journal_paper_doi               10.1021/ic070185b
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C10 H10 Cl2 N4 O2 Pt'
_chemical_formula_weight         484.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.4566(6)
_cell_length_b                   17.4566(6)
_cell_length_c                   9.0567(3)
_cell_measurement_reflns_used    23934
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.283
_cell_measurement_theta_min      1.018
_cell_volume                     2759.87(16)
_computing_cell_refinement
;
'HKL Scalepack (Otwinowski & Minor 1997)'
;
_computing_data_collection
;
'Collect (Nonius BV, 1997-2000)'
;
_computing_data_reduction
;
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
   'Kappa CCD (Nonius)'
;
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14292
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    10.557
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Shape (Stoe & Cie, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.849
_refine_diff_density_min         -1.665
_refine_diff_density_rms         0.154
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.026(10)
_refine_ls_extinction_coef       0.00029(4)
_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   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     175
_refine_ls_number_reflns         3409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0312
_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^)+(0.0000P)^2^+34.4517P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0601
_refine_ls_wR_factor_ref         0.0617
_reflns_number_gt                3236
_reflns_number_total             3409
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070185bsup1.cif
_cod_data_source_block           c:\crystal\x-red\ebokt05
_cod_depositor_comments          'Adding full bibliography for 4333234.cif.'
_cod_original_sg_symbol_H-M      I-4
_cod_database_code               4333234