Structural Investigations of Palladium(II) and Platinum(II) Complexes of Salicylhydroxamic Acid
Matthew D. Hall; Timothy W. Failes; David E. Hibbs; Trevor W. Hambley; Inorganic Chemistry 41 (2002) 1223–1228; doi:10.1021/ic010760q

data_4317621
_publ_contact_author_address
;
    Centre for Heavy Metals Research
    School of Chemistry
    The University of Sydney
    N.S.W. 2006
    Australia
;
_publ_contact_author_email       ' t.hambley@chem.usyd.edu.au'
_publ_contact_author_fax         ' 61-2-9351-3329'
_publ_contact_author_name        ' Trevor W. Hambley'
_publ_contact_author_phone       ' 61-2-9351-2830'
_publ_section_title
;
 Structural Investigations of Palladium(II) and Platinum(II) Complexes of
 Salicylhydroxamic Acid
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1223
_journal_page_last               1228
_journal_paper_doi               10.1021/ic010760q
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C43 H35 N O3 P2 Pt'
_chemical_formula_weight         870.75
_chemical_name_common            '[Pt(sha)(PPh3)2]'
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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            4
_cell_length_a                   17.9325(19)
_cell_length_b                   11.3102(12)
_cell_length_c                   18.2829(19)
_cell_measurement_temperature    293(2)
_cell_volume                     429.6(4)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-86
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33059
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    3.911
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.036
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.081
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.102(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.508
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         4625
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.508
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0224
_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^)+(0.0747P)^2^+25.0663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0692
_reflns_number_gt                4241
_reflns_number_total             4625
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010760q_2.cif
_cod_data_source_block           twf22
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3708.1(7)
_cod_database_code               4317621