Structure of the two-coordinate cadmium complex bis(pentafluorophenyl)cadmium(II), [Cd(C~6~F~5~)~2~]
Strasdeit, H.; Büsching, I.; Duhme, A.-K.; Pohl, S.; Acta Crystallographica Section C 49 (1993) 576–578; doi:10.1107/S010827019201014X

data_2001902
_publ_section_title
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 Structure of the two-coordinate cadmium complex
 bis(pentafluorophenyl)cadmium(II), [Cd(C~6~F~5~)~2~]
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              576
_journal_page_last               578
_journal_paper_doi               10.1107/S010827019201014X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 Cd F10'
_chemical_formula_weight         446.53
_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                 108.940(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0300(10)
_cell_length_b                   7.7920(10)
_cell_length_c                   13.7110(10)
_cell_measurement_reflns_used    42
_cell_measurement_temperature    297
_cell_measurement_theta_max      20
_cell_measurement_theta_min      16
_cell_volume                     1215.7(2)
_diffrn_measurement_device       'Siemens/Stoe AED-2'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2987
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        -3
_diffrn_standards_interval_time  45
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.86
_exptl_absorpt_correction_T_max  0.3288
_exptl_absorpt_correction_T_min  0.2657
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.440
_exptl_crystal_description       'Truncated parallelepiped'
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.43
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2213
_refine_ls_R_factor_obs          0.027
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 0.8996/[\s^2^(F)+0.0002F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.029
_reflns_number_observed          2226
_reflns_number_total             2648
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            se1005.cif
_cod_data_source_block           se1005_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w =
0.8996/[\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 = 0.8996/[\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        1215.7
_cod_original_formula_sum        'C12 Cd1 F10'
_cod_database_code               2001902