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_4309996
_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         'C38 H46 Ag N4 Pt2 S6, 3(F6 P), C2 H3 N'
_chemical_formula_sum            'C40 H49 Ag F18 N5 P3 Pt2 S6'
_chemical_formula_weight         1725.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 91.739(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2016(14)
_cell_length_b                   22.179(2)
_cell_length_c                   17.2955(18)
_cell_measurement_temperature    173(2)
_cell_volume                     5445.2(9)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0579
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            43486
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    5.899
_exptl_absorpt_correction_T_max  0.3300
_exptl_absorpt_correction_T_min  0.1503
_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    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3320
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.19
_refine_diff_density_max         3.027
_refine_diff_density_min         -1.984
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     673
_refine_ls_number_reflns         11097
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+36.0210P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1182
_reflns_number_gt                9694
_reflns_number_total             11097
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0511874si20051007_111116_1.cif
_cod_data_source_block           2ndd1aset
_cod_original_cell_volume        5445.1(9)
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4309996