Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands
Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin; Inorganic Chemistry 50 (2011) 1411–1419; doi:10.1021/ic101973s

data_4324429
_publ_section_title
;
 Chelating Effect as a Driving Force for the Selective Formation of
 Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether
 Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1411
_journal_page_last               1419
_journal_paper_doi               10.1021/ic101973s
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C20 H19 Cl2 P Pt Se'
_chemical_formula_weight         635.27
_chemical_name_systematic
; 
 ? 
;
_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                 100.849(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3212(3)
_cell_length_b                   12.8894(8)
_cell_length_c                   9.5294(3)
_cell_measurement_reflns_used    1618
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      64.59
_cell_measurement_theta_min      4.72
_cell_volume                     1003.81(8)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7285
_diffrn_reflns_theta_full        64.59
_diffrn_reflns_theta_max         64.59
_diffrn_reflns_theta_min         4.72
_exptl_absorpt_coefficient_mu    18.344
_exptl_absorpt_correction_T_max  0.6953
_exptl_absorpt_correction_T_min  0.5107
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   face-indexed
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.102
_exptl_crystal_description       prism
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.174
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.077
_refine_diff_density_max         3.435
_refine_diff_density_min         -1.263
_refine_diff_density_rms         0.196
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.015(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2545
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0608P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0805
_reflns_number_gt                2529
_reflns_number_total             2545
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101973s_si_002_1.cif
_cod_data_source_block           9_SePhCl2
_cod_database_code               4324429