Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-
Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte; Inorganic Chemistry 40 (2001) 1936–1942; doi:10.1021/ic001173s

data_4319506
_publ_contact_author_address
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
_publ_contact_author_email       chivers@ucalgary.ca
_publ_contact_author_fax         '001 403 289 9488'
_publ_contact_author_name        'Dr Tristram Chivers'
_publ_contact_author_phone       '001 403 220 5741'
_publ_section_title
;
 Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S)
 Complexes of the Monoanion [(tBuN)(S)P(\m-NtBu)2P(S)(NHtBu)]- and a
 Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(\m-NtBu)2P(S)(NtBu)]2-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1936
_journal_page_last               1942
_journal_paper_doi               10.1021/ic001173s
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C28 H66 N4 P1 Pt S2,(C6H6)'
_chemical_formula_sum            'C34 H72 N4 P Pt S2'
_chemical_formula_weight         920.05
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.30(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.479(6)
_cell_length_b                   21.782(7)
_cell_length_c                   17.048(5)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      17.46
_cell_measurement_theta_min      14.71
_cell_volume                     4559(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1995)'
_computing_molecular_graphics    'teXsan (MSC, 1995)'
_computing_publication_material  'teXsan (MSC, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8028
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         2.60
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.335
_exptl_absorpt_correction_T_max  0.5551
_exptl_absorpt_correction_T_min  0.2974
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
 North, Phillips & Matthews, 1968
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1896
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.005
_refine_diff_density_min         -2.107
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         8028
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.1361
_refine_ls_R_factor_gt           0.0587
_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^)+(0.0000P)^2^+183.1000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1514
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                4838
_reflns_number_total             8028
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic001173s_1.cif
_cod_data_source_block           9(C6H6)
_cod_original_formula_sum        'C34 H72 N4 P1 Pt S2'
_cod_database_code               4319506