{2,6-Bis[(dimethylamino-κ<i>N</i>)methyl]-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl-κ<i>C</i>^1^}(diiodine)iodidoplatinum(II) dichloromethane hemisolvate
von Chrzanowski, Lars S.; Lutz, Martin; Spek, Anthony L.; Suijkerbuijk, Bart M. J. M.; Klein Gebbink, Robertus J. M.; Acta Crystallographica Section E 63 (2007) m1223–m1225; doi:10.1107/S1600536807013748

data_2213302
_publ_section_title
;{2,6-Bis[(dimethylamino-\k<i>N</i>)methyl]-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl-\k<i>C</i>^1^}(diiodine)iodidoplatinum(II)
 dichloromethane hemisolvate
;
_journal_coeditor_code           FJ2006
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1223
_journal_page_last               m1225
_journal_paper_doi               10.1107/S1600536807013748
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt I (C17 H22 N3 O4) (I2)] , 0.5C H2 Cl2'
_chemical_formula_moiety         'C17 H22 I3 N3 O4 Pt , 0.5C H2 Cl2'
_chemical_formula_sum            'C17.5 H23 Cl I3 N3 O4 Pt'
_chemical_formula_weight         950.63
_chemical_name_systematic
;
{2,6-Bis[(dimethylamino-\k^2^N,N')methyl]-4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]
carbonyl}phenyl-\kC}(diiodine)iodoplatinum(II) dichloromethane hemisolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                99.2137(14)
_cell_angle_beta                 90.7250(15)
_cell_angle_gamma                103.7589(13)
_cell_formula_units_Z            4
_cell_length_a                   8.70120(10)
_cell_length_b                   15.1862(2)
_cell_length_c                   19.8391(4)
_cell_measurement_reflns_used    102
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.13
_cell_measurement_theta_min      2.46
_cell_volume                     2509.91(7)
_computing_cell_refinement       'DIRAX (Duisenberg, 1992)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction
;
EVALCCD (Duisenberg <i>et al.</i>,  2003) and SORTAV (Blessing,
1987)
;
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'manual editing of the SHELXL97 output'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF97 (Beurskens <i>et al.</i>,  1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            35716
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.414
_exptl_absorpt_correction_T_max  0.63
_exptl_absorpt_correction_T_min  0.14
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.033
_refine_diff_density_min         -3.345
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.944
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         11455
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0482
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                8859
_reflns_number_total             11455
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fj2006.cif
_cod_data_source_block           I
_cod_original_cell_volume        2509.90(7)
_cod_original_formula_sum        'C17.50 H23 Cl I3 N3 O4 Pt'
_cod_database_code               2213302
_cod_database_fobs_code          2213302