Salts of the 1-cyanocarba-closo-dodecaborate anions [1-NC-closo-1-CB11X11]- (X = H, F, Cl, Br, I).
Finze, Maik; Sprenger, Jan A. P.; Schaack, Bernd Bastian; Dalton transactions (Cambridge, England : 2003) 39 (2010) 2708–2716; doi:10.1039/b922720b

data_7024927
_publ_section_title
;
 Salts of the 1-cyanocarba-closo-dodecaborate anions
 [1-NC-closo-1-CB11X11]- (X = H, F, Cl, Br, I).
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2708
_journal_page_last               2716
_journal_paper_doi               10.1039/b922720b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C2 B11 Cl11 N, Cs'
_chemical_formula_sum            'C2 B11 Cl11 Cs N'
_chemical_formula_weight         679.80
_chemical_name_common
Caesium-1-cyanoundecachloridocarba-closo-dodecaborate
_chemical_name_systematic
;
Caesium-1-cyanoundecachloridocarba-<i>closo</i>-dodecaborate
;
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   18.638(3)
_cell_length_b                   18.638(3)
_cell_length_c                   24.499(4)
_cell_measurement_reflns_used    3672
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      5.16
_cell_volume                     8510(2)
_computing_cell_refinement       'CrysAlis RED (Kuma 2000)'
_computing_data_collection       'CrysAlis CCD (KUMA, 2000)'
_computing_data_reduction        'CrysAlis RED (Kuma 2000)'
_computing_molecular_graphics    'Diamond 3.1f (Brandeburger, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe STADI CCD'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            16987
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         5.16
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.112
_exptl_absorpt_correction_T_max  0.7401
_exptl_absorpt_correction_T_min  0.5641
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-RED 1.20 (Stoe & Cie, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.122
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5056
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.622
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     135
_refine_ls_number_reflns         1859
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0540P)^2^+3.2000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0842
_reflns_number_gt                1553
_reflns_number_total             1859
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b922720b.txt
_cod_data_source_block           Cs[1-NC-closo-1-CB11Cl11]
_cod_original_cell_volume        8510(3)
_cod_original_sg_symbol_H-M      'I 41/acd'
_cod_database_code               7024927