Synthesis and Characterization of Chiral Platinum(II) Sulfonamides: (dppe)Pt(NN) and (dppe)Pt(NO) Complexes
Jennifer J. Becker; Peter S. White; Michel R. Gagné; Inorganic Chemistry 38 (1999) 798–801; doi:10.1021/ic981287s

data_4321798
_publ_section_title
;
 Synthesis and Characterization of Chiral Platinum(II) Sulfonamides:
 (dppe)Pt(NN) and (dppe)Pt(NO) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              798
_journal_page_last               801
_journal_paper_doi               10.1021/ic981287s
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         'Pt P2 S2 C43 H38 F6 N2 O4 Cl2 '
_chemical_formula_sum            'C43 H38 Cl2 F6 N2 O4 P2 Pt S2'
_chemical_formula_weight         1152.83
_chemical_name_systematic        2a
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   13.5266(8)
_cell_length_b                   14.9709(9)
_cell_length_c                   21.9952(13)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.50
_cell_volume                     4454.1(5)
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan b/P/b        '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36689
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    3.49
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_F_000             2279.24
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.57
_refine_diff_density_min         -2.03
_refine_ls_abs_structure_Rogers  1.000(0)
_refine_ls_extinction_coef       1863(185)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   1.66
_refine_ls_matrix_type           atomblock
_refine_ls_number_parameters     560
_refine_ls_number_reflns         11624
_refine_ls_R_factor_all          0.032
_refine_ls_R_factor_obs          0.029
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.025
_refine_ls_wR_factor_obs         0.025
_reflns_number_observed          11624
_reflns_number_total             12703
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            ic981287s_2.cif
_cod_data_source_block           2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'Pt P2 S2 C43 H38 F6 N2 O4 Cl2 '
_cod_database_code               4321798