A New Methodology for the Preparation of Cationic Organoplatinum(II) Complexes with Hydrogen-Bonding Functionality
Gallasch, David P.; Tiekink, Edward R. T.; Rendina, Louis M.; Organometallics 20 (2001) 3373–; doi:10.1021/om010127c

data_4077305
_publ_section_title
;
 A New Methodology for the Preparation of Cationic Organoplatinum(II)
 Complexes with Hydrogen-Bonding Functionality
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3373
_journal_paper_doi               10.1021/om010127c
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C59 H53 I O2 P2 Pt Si '
_chemical_formula_sum            'C59 H53 I O2 P2 Pt Si'
_chemical_formula_weight         1206.09
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.014(4)
_cell_length_b                   36.823(8)
_cell_length_c                   11.614(4)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    173
_cell_measurement_theta_max      8.8
_cell_measurement_theta_min      7.3
_cell_volume                     5138(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'teXsan for Windows (MSC, 1997)'
_computing_structure_solution
;
'DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      173
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.02499
_diffrn_orient_matrix_UB_12      -0.02589
_diffrn_orient_matrix_UB_13      0.00238
_diffrn_orient_matrix_UB_21      0.03396
_diffrn_orient_matrix_UB_22      -0.00420
_diffrn_orient_matrix_UB_23      -0.07748
_diffrn_orient_matrix_UB_31      0.07177
_diffrn_orient_matrix_UB_32      -0.00703
_diffrn_orient_matrix_UB_33      0.03749
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.090
_diffrn_reflns_av_sigmaI/netI    0.071
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12249
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.24
_diffrn_standards_decay_%        0.57
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.449
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_type
;
\DF (DIFABS; Walker & Stuart, 1983)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.64
_refine_ls_abs_structure_details
'opp. hand gave R 0.067, Rw 0.068 and GOF 3.19'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.330
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     595
_refine_ls_number_reflns         5031
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00001|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0290
_reflns_number_gt                5031
_reflns_number_total             9051
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            om010127c.cif
_cod_data_source_block           '_(3)'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C59 H53 I O2 P2 Pt Si '
_cod_database_code               4077305