Stereospecific ligands and their complexes. Part XV. Synthesis, characterization and cytotoxicity of novel platinum(IV) complexes with some esters of ethylenediamine-N,,N'N'-di-S,,S-(2,2''-dibenzyl)acetic acid. Crystal structure of O,,O''-dipropyl-ethylenediamine–N,,N''-di-S,,S-(2,2''-dibenzyl)acetate dihydrochloride
Dejana P. Dimitrijevic; Verica V. Glodovic; Gordana P. Radic; Santiago Garcia-Granda; Laura Menendez-Taboada; Marija Milovanovic; Vladislav Volarevic; Nebojsa Arsenijevic; Goran A. Bogdanovic; Srecko R. Trifunovic; Inorganica Chimica Acta 402 (2013) 83–89; doi:

data_1517152
_publ_section_title
;
 Stereospecific ligands and their complexes. Part XV. Synthesis,
 characterization and cytotoxicity of novel platinum(IV) complexes with
 some esters of ethylenediamine-N,,N'N'-di-S,,S-(2,2''-dibenzyl)acetic
 acid. Crystal structure of
 O,,O''-dipropyl-ethylenediamine--N,,N''-di-S,,S-(2,2''-dibenzyl)acetate
 dihydrochloride
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              83
_journal_page_last               89
_journal_volume                  402
_journal_year                    2013
_chemical_formula_moiety         '[C26 H38 N2 O4]Cl2'
_chemical_formula_sum            'C26 H38 Cl2 N2 O4'
_chemical_formula_weight         513.48
_chemical_name_systematic
;
O,O'-dipropyl-ethylenediamine-N,N'-di-S,S-(2,2'-dibenzyl)
acetate dihydrochloride
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.495(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.2333(5)
_cell_length_b                   15.577(2)
_cell_length_c                   16.8148(19)
_cell_measurement_temperature    293(2)
_cell_volume                     1366.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.977
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_sigmaI/netI    0.1498
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10520
_diffrn_reflns_theta_full        68.00
_diffrn_reflns_theta_max         74.17
_diffrn_reflns_theta_min         3.87
_exptl_absorpt_coefficient_mu    2.401
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             548
_refine_diff_density_max         0.211
_refine_diff_density_min         -0.187
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.797
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5288
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.797
_refine_ls_R_factor_all          0.1346
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.1159
_reflns_number_gt                2311
_reflns_number_total             5288
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-402-82-89.cif
_cod_data_source_block           ds001b
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               1517152