Tetra-<i>n</i>-butylammonium tris(perfluorophenyl)(triphenylphosphine)platinate(II)
Ara, I.; Milagros, T.; Acta Crystallographica Section C 50 (1994) 375–377; doi:10.1107/S0108270193008649

data_2009542
_publ_section_title
;
 Tetra-<i>n</i>-butylammonium
 tris(perfluorophenyl)(triphenylphosphine)platinate(II)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              375
_journal_page_last               377
_journal_paper_doi               10.1107/S0108270193008649
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C52 H51 F15 N1 P1 Pt1'
_chemical_formula_sum            'C52 H51 F15 N P Pt'
_chemical_formula_weight         1201.023
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'IntTabIV pp. 55, 99, 149'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.903(2)
_cell_length_b                   20.019(4)
_cell_length_c                   21.640(3)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    291
_cell_measurement_theta_max      15
_cell_measurement_theta_min      11.5
_cell_volume                     5156.5(15)
_diffrn_measurement_device       'Siemens/Stoe AED2'
_diffrn_measurement_method       \w/\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  2.82
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10322
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  45
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.841
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1/0387
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     636
_refine_ls_number_reflns         5025
_refine_ls_R_factor_obs          0.0391
_refine_ls_shift/esd_max         -0.115
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0411
_reflns_number_observed          5025
_reflns_number_total             8474
_reflns_observed_criterion       F>6.0\s(F)
_cod_data_source_file            hu1049.cif
_cod_data_source_block           hu1049_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0004F^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) +
0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5156.3(15)
_cod_original_formula_sum        'C52 H51 F15 N1 P1 Pt1'
_cod_database_code               2009542