Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes
Verena Pichler; Simone Göschl; Samuel M. Meier; Alexander Roller; Michael A. Jakupec; Markus Galanski; Bernhard K. Keppler; Inorganic Chemistry 52 (2013) 8151–8162; doi:10.1021/ic400816g

data_4335475
_publ_section_title
;
 Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as
 Precursors for Generating Unsymmetrically Substituted Platinum(IV)
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8151
_journal_page_last               8162
_journal_paper_doi               10.1021/ic400816g
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C22 H26 Cl2 N2 O4 Pt'
_chemical_formula_sum            'C22 H26 Cl2 N2 O4 Pt'
_chemical_formula_weight         648.44
_chemical_name_systematic
; 
(OC-6-54)-Dichlorido(N,N-dimethylethane-1,2-diamine)hydroxido[(2E)-3-
phenylprop-2-enoato]platinum(IV) 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                65.149(4)
_cell_angle_beta                 72.991(4)
_cell_angle_gamma                85.489(4)
_cell_formula_units_Z            2
_cell_length_a                   7.8654(6)
_cell_length_b                   12.8074(11)
_cell_length_c                   13.3055(12)
_cell_measurement_reflns_used    3424
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.86
_cell_measurement_theta_min      2.71
_cell_volume                     1161.51(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0942
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25532
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    6.301
_exptl_absorpt_correction_T_max  0.8335
_exptl_absorpt_correction_T_min  0.5714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_description       plate
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.364
_refine_diff_density_min         -0.767
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0370
_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^)+(0.0321P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0716
_reflns_number_gt                3323
_reflns_number_total             4133
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400816g_si_002.cif
_cod_data_source_block           vepi219
_cod_original_cell_volume        1161.51(17)
_cod_original_sg_symbol_Hall     P-1
_cod_database_code               4335475