Bis(tri-<i>n</i>-butylphosphino)gold(I) tetraphenylborate
Staples, R.J.; Fackler, J.P.Jr; Khan, N.I.; Winpenny, R.E.P.; Acta Crystallographica Section C 50 (1994) 191–193; doi:10.1107/S0108270193007279

data_2009435
_publ_section_title
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 Bis(tri-<i>n</i>-butylphosphino)gold(I) tetraphenylborate
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              191
_journal_page_last               193
_journal_paper_doi               10.1107/S0108270193007279
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C24 H54 Au1 P1,C24 H20 B1'
_chemical_formula_sum            'C48 H74 Au B P2'
_chemical_formula_weight         920.8
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 107.75(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.429(3)
_cell_length_b                   20.995(10)
_cell_length_c                   17.047(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      10
_cell_volume                     4918(4)
_diffrn_measurement_device       'Nicolet R3m/E'
_diffrn_measurement_method       Wyckoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5023
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.08
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.507
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.24
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.64
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_hydrogen_treatment    none
_refine_ls_number_parameters     451
_refine_ls_number_reflns         3464
_refine_ls_R_factor_obs          0.0543
_refine_ls_shift/esd_max         0.24
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = [\s^2^(F~o~) + gF~o~^2^]^-1^, g = 0.000963'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0612
_reflns_number_observed          3464
_reflns_number_total             4870
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            br1037.cif
_cod_data_source_block           br1037_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F~o~) + gF~o~^2^]^-1^, g
= 0.000963' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(F~o~) + gF~o~^2^]^-1^, g = 0.000963'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C48 H74 Au1 B1 P2'
_cod_database_code               2009435