Cs[CB~10~H~13~] at 293 K
Whitaker, Claire R.; Romerosa, Antonio; Teixidor, Francesc; Rius, Jordi; Acta Crystallographica Section C 51 (1995) 188–190; doi:10.1107/S0108270194008139

data_2010486
_publ_section_title
;
 Cs[CB~10~H~13~] at 293 K
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              188
_journal_page_last               190
_journal_paper_doi               10.1107/S0108270194008139
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C H13 B10 Cs'
_chemical_formula_weight         266.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 92.441(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.1620(10)
_cell_length_b                   10.6470(10)
_cell_length_c                   7.9850(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20.70
_cell_measurement_theta_min      11.96
_cell_volume                     1033.03(18)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2188
_diffrn_reflns_theta_max         26.2
_diffrn_standards_decay_%        -4.7%
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.47
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.5127
_exptl_absorpt_correction_type   'Empirical (\y scan)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.71
_exptl_crystal_description       'rectangular block'
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.911
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.47
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1879
_refine_ls_R_factor_obs          0.042
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 9.3387/[\s^2^(F) + 0.000176(F)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          1879
_reflns_number_total             1978
_reflns_observed_criterion       I>=2.5\sI
_cod_data_source_file            na1091.cif
_cod_data_source_block           na1091_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-29

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 9.3387/[\s^2^(F) +
0.000176(F)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 9.3387/[\s^2^(F) + 0.000176(F)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1033.1(3)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C1 H13 B10 Cs1'
_cod_database_code               2010486