Synthesis of Pt(dpk)Cl4 and the Reversible Hydration to Pt(dpk-O-OH)Cl3.H-phenCl: X-ray, Spectroscopic, and Electrochemical Characterization
Katherine N. Crowder; Stephanie J. Garcia; Rebekah L. Burr; J. Micah North; Mike H. Wilson; Brian L. Conley; Phillip E. Fanwick; Peter S. White; Karl D. Sienerth; Robert M. Granger; Inorganic Chemistry 43 (2004) 72–78; doi:10.1021/ic035102f

data_4310354
_publ_contact_author
;
     P.E. Fanwick
     Department of Chemistry
     Purdue University
     W. Lafayette
     IN 47907
     USA
;
_publ_contact_author_email       fanwick@.xray.chem.purdue.edu
_publ_contact_author_fax         '(317) 494 0239'
_publ_contact_author_phone       '(317) 494 4572'
_publ_section_title
;
 Synthesis of Pt(dpk)Cl4 and the Reversible Hydration to
 Pt(dpk-O-OH)Cl3.H-phenCl: X-ray, Spectroscopic, and Electrochemical
 Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              72
_journal_page_last               78
_journal_paper_doi               10.1021/ic035102f
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'Pt Cl4 C11 H8 N2 O '
_chemical_formula_sum            'C11 H8 Cl4 N2 O Pt'
_chemical_formula_weight         521.09
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             14-03-96
_audit_creation_method           from_MolEN_master_file_using_cif_in
_cell_angle_alpha                90.0
_cell_angle_beta                 91.414(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.9268(2)
_cell_length_b                   9.9789(2)
_cell_length_c                   11.8599(2)
_cell_measurement_reflns_used    6936
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.50
_cell_volume                     1411.09(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/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      173
_diffrn_measurement_device       'Bruker SMART 1K'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11598
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    10.65
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.453
_exptl_crystal_F_000             965.65
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.18
_refine_diff_density_min         -0.74
_refine_ls_extinction_coef       0.054(11)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   1.28
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2073
_refine_ls_R_factor_all          0.028
_refine_ls_R_factor_obs          0.020
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0001F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.025
_refine_ls_wR_factor_obs         0.023
_reflns_number_observed          2074
_reflns_number_total             2488
_reflns_observed_criterion       'Inet > 3.0\s(Inet)'
_cod_data_source_file            ic035102fsi20030917_050916.cif
_cod_data_source_block           c02110
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 19 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0001F^2^)' 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)+0.0001F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Pt Cl4 C11 H8 N2 O '
_cod_database_code               4310354