Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide
Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo; Inorganic Chemistry 52 (2013) 12308–12310; doi:10.1021/ic402436w

data_4336680
_publ_section_title
;
 Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion
 and Isolation of a Stable Anionic Carboranyl Phosphazide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12308
_journal_page_last               12310
_journal_paper_doi               10.1021/ic402436w
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C24 H39 B11 Cl10 Li N3 O6 S'
_chemical_formula_weight         977.99
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                90.00
_cell_formula_units_Z            8
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_cell_length_b                   19.490(2)
_cell_length_c                   25.163(3)
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_cell_measurement_theta_min      2.24
_cell_volume                     8715.4(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_limit_l_min       -33
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_exptl_absorpt_correction_T_max  0.9624
_exptl_absorpt_correction_T_min  0.6930
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_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       'needle frag'
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_exptl_crystal_size_min          0.05
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+9.8164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0704
_refine_ls_wR_factor_ref         0.0876
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_reflns_threshold_expression     >2sigma(I)
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_cod_database_code               4336680