The First Example of a <i>cis</i>-Platinum Analogue with Two Directly Bridged Imidazoles: [Pt(mimim)Cl~2~].Et~4~NCl
Karentzopoulos, S.; Engelking, H.; Bremer, B.; Paschke, N.; Krebs, B.; Acta Crystallographica Section C 53 (1997) 172–174; doi:10.1107/S0108270196011948

data_2005937
_publ_section_title
;
 The First Example of a <i>cis</i>-Platinum Analogue with Two Directly
 Bridged Imidazoles: [Pt(mimim)Cl~2~].Et~4~NCl
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              172
_journal_page_last               174
_journal_paper_doi               10.1107/S0108270196011948
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '(C8 H20 N1)[Pt Cl2 (C7 H8 N4)] Cl'
_chemical_formula_moiety         '[Pt (C7 H8 N4) Cl2] [N (C2 H5)4]Cl'
_chemical_formula_sum            'C15 H28 Cl3 N5 Pt'
_chemical_formula_weight         579.86
_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'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.
_cell_angle_beta                 101.00(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.0470(10)
_cell_length_b                   23.973(5)
_cell_length_c                   12.280(2)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      3
_cell_volume                     2036.4(6)
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device       'Synthex P2~1~'
_diffrn_measurement_method       \w
_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  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0974
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3717
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    7.292
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type
'empirical via \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.307
_refine_diff_density_min         -0.927
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.018
_refine_ls_goodness_of_fit_obs   1.073
_refine_ls_hydrogen_treatment    'noref; riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3544
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_restrained_S_obs      1.073
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_obs          0.0489
_refine_ls_shift/esd_max         0.165
_refine_ls_shift/esd_mean        0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.041P)^2^]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1050
_refine_ls_wR_factor_obs         0.0893
_reflns_number_observed          2382
_reflns_number_total             3545
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            jz1120.cif
_cod_data_source_block           ptcl
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H28 Cl3 N5 Pt1'
_cod_database_code               2005937