Tetrachloridobis{(<i>E</i>)-1-[(<i>E</i>)-(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylideneaminooxy]propylideneamine}platinum(IV)
Zamaratskikh, Ekaterina S.; Khripun, Anatoly V.; Haukka, Matti; Balova, Irina A.; Acta Crystallographica Section E 63 (2007) m589–m590; doi:10.1107/S1600536807002395

data_2212180
_publ_section_title
Tetrachloridobis{(<i>E</i>)-1-[(<i>E</i>)-(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylideneaminooxy]propylideneamine}platinum(IV)
_journal_coeditor_code           HB2240
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m589
_journal_page_last               m590
_journal_paper_doi               10.1107/S1600536807002395
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt Cl4 (C13 H22 N2 O)2]'
_chemical_formula_moiety         'C26 H44 Cl4 N4 O2 Pt'
_chemical_formula_sum            'C26 H44 Cl4 N4 O2 Pt'
_chemical_formula_weight         781.54
_chemical_name_systematic
;
trans-Tetrachloridobis{(E)-1-[(E)(1R,4R)-1,7,7-
trimethylbicyclo[2.2.1]hept-2-ylideneaminooxy]propylidenamine}platinum(IV)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 114.1280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5595(3)
_cell_length_b                   14.5801(4)
_cell_length_c                   11.5436(4)
_cell_measurement_reflns_used    5729
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1621.97(9)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        DENZO/SCALEPACK
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19090
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    4.683
_exptl_absorpt_correction_T_max  0.718
_exptl_absorpt_correction_T_min  0.365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.874
_refine_diff_density_min         -1.613
_refine_ls_abs_structure_details 'Flack (1983), 3165 Friedel pairs'
_refine_ls_abs_structure_Flack   0.013(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         7036
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0285
_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^)+(0.0391P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                6279
_reflns_number_total             7036
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2240.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2212180
_cod_database_fobs_code          2212180