Cationic Five-Coordinate PtII Complexes as Donors in the Formation of Pt\ρightarrowAg Dative Bonds
Daron E. Janzen; Larry F. Mehne; Donald G. VanDerveer; Gregory J. Grant; Inorganic Chemistry 44 (2005) 8182–8184; doi:10.1021/ic0511874

data_4309997
_publ_contact_author_address
;Department of Chemistry
University of Tennessee at Chattanooga
Chattanooga, TN 37403
;
_publ_contact_author_email       Greg-Grant@utc.edu
_publ_contact_author_fax         423-425-5234
_publ_contact_author_name        'Gregory J. Grant'
_publ_contact_author_phone       423-425-4143
_publ_section_title
;
Cationic Five-Coordinate PtII Complexes as Donors in the Formation of
Pt\\rightarrowAg Dative Bonds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8182
_journal_page_last               8184
_journal_paper_doi               10.1021/ic0511874
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C17 H20 N Pt S3, F6 P'
_chemical_formula_sum            'C17 H20 F6 N P Pt S3'
_chemical_formula_weight         674.58
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.944(2)
_cell_length_b                   12.122(2)
_cell_length_c                   28.012(6)
_cell_measurement_reflns_used    8826
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.3714
_cell_measurement_theta_min      1.7723
_cell_volume                     4055.7(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       omega-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  0.0682
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            25828
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    7.366
_exptl_absorpt_correction_T_max  0.3573
_exptl_absorpt_correction_T_min  0.2006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'REQAB, subroutine of CrystalClear, Rigaku/MSC, The Woodlands, TX, 1999.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.951
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.215
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.215
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0422
_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^)+(0.0165P)^2^+32.3412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                3692
_reflns_number_total             3982
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0511874si20051007_111116_2.cif
_cod_data_source_block           pts3pt9s3phpyra
_cod_original_cell_volume        4055.5(14)
_cod_database_code               4309997