<i>trans</i>,<i>cis</i>-Dibromido[diethyl (ethane-1,2-diyldiimino)diacetate-κ^2^<i>N</i>,<i>N</i>']dimethylplatinum(IV)
Kaluđerović, Goran N.; Schmidt, Harry; Wagner, Christoph; Steinborn, Dirk; Acta Crystallographica Section E 63 (2007) m1985–m1985; doi:10.1107/S1600536807029534

data_2214324
_publ_section_title
;<i>trans</i>,<i>cis</i>-Dibromido[diethyl
 (ethane-1,2-diyldiimino)diacetate-\k^2^<i>N</i>,<i>N</i>']dimethylplatinum(IV)
;
_journal_coeditor_code           LH2429
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1985
_journal_page_last               m1985
_journal_paper_doi               10.1107/S1600536807029534
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt Br2 (C1 H3)2 (C10 H20 N2 O4)]'
_chemical_formula_moiety         'C12 H26 Br2 N2 O4 Pt'
_chemical_formula_sum            'C12 H26 Br2 N2 O4 Pt'
_chemical_formula_weight         617.26
_chemical_name_systematic
;
trans,cis-Dibromido[diethyl (ethane-1,2-diyldiimino)diacetate-
\k^2^N,N']dimethylplatinum(IV)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 118.75(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.419(4)
_cell_length_b                   8.1405(12)
_cell_length_c                   12.153(2)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      51.7
_cell_measurement_theta_min      4.2
_cell_volume                     1857.8(8)
_computing_cell_refinement       'IPDS Software'
_computing_data_collection       'IPDS Software (Stoe & Cie, 1999)'
_computing_data_reduction        'IPDS Software'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'area detector'
_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  0.0881
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5983
_diffrn_reflns_theta_full        25.92
_diffrn_reflns_theta_max         25.92
_diffrn_reflns_theta_min         3.62
_exptl_absorpt_coefficient_mu    11.868
_exptl_absorpt_correction_T_max  0.1856
_exptl_absorpt_correction_T_min  0.0857
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(IPDS Software; Stoe & Cie, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         3.605
_refine_diff_density_min         -3.250
_refine_ls_extinction_coef       0.0019(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     98
_refine_ls_number_reflns         1754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0438
_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^)+(0.0673P)^2^+23.535P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1134
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                1644
_reflns_number_total             1754
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2429.cif
_cod_data_source_block           I
_cod_original_cell_volume        1857.9(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214324
_cod_database_fobs_code          2214324