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_1512885
_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         'C22 H26 Cl2 N P Pt, C2 H4 Cl2'
_chemical_formula_sum            'C24 H30 Cl4 N P Pt'
_chemical_formula_weight         700.35
_chemical_name_systematic
;
trans-Dichloro-(triphenylphosphine)-(diethylamine)-platinum(ii)
 dichloroethane solvate
;
_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     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                99.9300(10)
_cell_angle_beta                 101.1800(10)
_cell_angle_gamma                100.4430(10)
_cell_formula_units_Z            2
_cell_length_a                   9.35450(10)
_cell_length_b                   9.5028(2)
_cell_length_c                   16.6356(3)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.94
_cell_measurement_theta_min      2.28
_cell_volume                     1393.29(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'WINGX-1.64 (Farrugia, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22017
_diffrn_reflns_theta_full        27.01
_diffrn_reflns_theta_max         27.01
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    5.489
_exptl_absorpt_correction_T_max  0.3781
_exptl_absorpt_correction_T_min  0.2569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.307
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         6023
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.947
_refine_ls_shift/su_mean         0.061
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+1.5485P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                5422
_reflns_number_total             6023
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ICA-2013-395-181-188-2.cif
_cod_data_source_block           plamfos_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               1512885