Benzyl(bromo)diphenyllead
Fahrenkampf, U.; Schürmann, M.; Huber, F.; Acta Crystallographica Section C 50 (1994) 1252–1254; doi:10.1107/S010827019301412X

data_2009994
_publ_section_title
;
 Benzyl(bromo)diphenyllead
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1252
_journal_page_last               1254
_journal_paper_doi               10.1107/S010827019301412X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C19 H17 Br Pb'
_chemical_formula_weight         532.43
_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'
_atom_type_scat_source           'IntTabC Tables 4.2.6.8, 6.1.1.4'
_cell_angle_alpha                90.
_cell_angle_beta                 92.05(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.741(4)
_cell_length_b                   10.287(5)
_cell_length_c                   16.790(9)
_cell_measurement_reflns_used    43
_cell_measurement_temperature    170.0(10)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      7.5
_cell_volume                     1681.4(14)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3707
_diffrn_reflns_theta_max         25.05
_diffrn_standards_decay_%        <+-3.4
_diffrn_standards_interval_count 300
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    12.402
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.470
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_description       block
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         '1.636 (near Pb)'
_refine_diff_density_min         -3.889
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.07
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2980
_refine_ls_R_factor_obs          0.0387
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(F~o~^2^)+(0.0617P)^2^+0.0P] where P = (F~o~^2^+2F~c~^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0941
_reflns_number_observed          2292
_reflns_number_total             2980
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            sh1079.cif
_cod_data_source_block           sh1079_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(F~o~^2^)+(0.0617P)^2^+0.0P] where P = (F~o~^2^+2F~c~^2^)/3'
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~o~^2^)+(0.0617P)^2^+0.0P] where P = (F~o~^2^+2F~c~^2^)/3'.

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        'C19 H17 Br1 Pb1'
_cod_database_code               2009994