Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products from Platinum(IV) Tris(pyrazolyl)borate Reagents
Reinartz, Stefan; White, Peter S.; Brookhart, Maurice; Templeton, Joseph L.; Organometallics 19 (2000) 3854–; doi:10.1021/om000440z

data_4077550
_publ_section_title
;
 Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products
 from Platinum(IV) Tris(pyrazolyl)borate Reagents
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              3854
_journal_paper_doi               10.1021/om000440z
_journal_volume                  19
_journal_year                    2000
_chemical_formula_moiety         'Pt C50 H41 B2 F24 N7 '
_chemical_formula_sum            'C50 H41 B2 F24 N7 Pt'
_chemical_formula_weight         1412.58
_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'
_cell_angle_alpha                99.488(1)
_cell_angle_beta                 91.418(1)
_cell_angle_gamma                117.656(1)
_cell_formula_units_Z            2
_cell_length_a                   12.6683(6)
_cell_length_b                   13.2799(6)
_cell_length_c                   18.9746(9)
_cell_measurement_reflns_used    7944
_cell_measurement_temperature    193
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.50
_cell_volume                     2770.0(2)
_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      193
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_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  0.022
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14091
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    2.65
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_F_000             1386.76
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.20
_refine_ls_extinction_coef       0.893(126)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         7856
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.055
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F)+0.0002F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.038
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          7856
_reflns_number_total             9227
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            om000440z.cif
_cod_data_source_block           c99045
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^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)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2769.99(22)
_cod_original_formula_sum        'Pt C50 H41 B2 F24 N7 '
_cod_database_code               4077550