Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and Dangling Trialkylamine or Ammonium Groups
Sayandev Chatterjee; Jeanette A. Krause; Kumudu Madduma-Liyanage; William B. Connick; Inorganic Chemistry 51 (2012) 4572–4587; doi:10.1021/ic202462a

data_4328901
_publ_contact_author_address
;     Department of Chemistry
      University of Cincinnati
      Cincinnati, OH 45221
;
_publ_contact_author_email       bill.connick@uc.edu
_publ_contact_author_fax         '513 556 9239'
_publ_contact_author_name        'Dr. William B. Connick'
_publ_contact_author_phone       '513 556 0148 '
_publ_section_title
;
 Platinum(II) Diimine Complexes with Halide/Pseudohalide Ligands and
 Dangling Trialkylamine or Ammonium Groups
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4572
_journal_page_last               4587
_journal_paper_doi               10.1021/ic202462a
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C31 H37 N5 S Pt, 2(PF6), 2(C2 H3 N), H2 O'
_chemical_formula_sum            'C35 H45 F12 N7 O P2 Pt S'
_chemical_formula_weight         1096.87
_chemical_name_systematic
; 
 ? 
;
_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   mixed
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 71.705(1)
_cell_angle_gamma                69.919(1)
_cell_formula_units_Z            2
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      68.00
_cell_measurement_theta_min      3.09
_cell_volume                     2087.87(11)
_computing_cell_refinement       'Bruker SAINT v6.45A'
_computing_data_collection       'Bruker SMART v5.32'
_computing_data_reduction        'Bruker SAINT v6.45A'
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_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Bruker SMART6000 CCD'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         68.03
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_max  0.8513
_exptl_absorpt_correction_T_min  0.2871
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       rod
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0248
_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^)+(0.0322P)^2^+1.9309P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic202462a_si_003_06.cif
_cod_data_source_block           4
_cod_original_cell_volume        2087.87(10)
_cod_database_code               4328901