Platinum(II) complexes containing unsaturated ligands. Nucleophilic substitution versus nucleophilic attack to ligand: a stereochemistry driven outcome
Daniela Belli Dell Amico; Claudio Broglia; Luca Labella; Fabio Marchetti; Daniele Mendola; Simona Samaritani; Inorganica Chimica Acta 395 (2013) 181–188; doi:10.1016/j.ica.2012.10.038

data_1512884
_publ_section_title
;
 Platinum(II) complexes containing unsaturated ligands. Nucleophilic
 substitution versus nucleophilic attack to ligand: a stereochemistry
 driven outcome
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              181
_journal_page_last               188
_journal_paper_doi               10.1016/j.ica.2012.10.038
_journal_volume                  395
_journal_year                    2013
_chemical_formula_moiety         'C27 H36 Cl N2 O P Pt'
_chemical_formula_sum            'C27 H36 Cl N2 O P Pt'
_chemical_formula_weight         666.09
_chemical_name_systematic
;
Chloro-diethylamine-(N,N-diethylcarbamoyl)-triphenylphosphine-platinum(ii)
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 114.1040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6781(5)
_cell_length_b                   12.3373(4)
_cell_length_c                   14.9107(5)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.24
_cell_measurement_theta_min      2.263
_cell_volume                     2800.55(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex Duo'
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29272
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    5.184
_exptl_absorpt_correction_T_max  0.5994
_exptl_absorpt_correction_T_min  0.3951
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         6387
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0189
_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^)+(0.0207P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0379
_refine_ls_wR_factor_ref         0.0390
_reflns_number_gt                5895
_reflns_number_total             6387
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ICA-2013-395-181-188-1.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1512884