Reversible, metal-free hydrogen activation by frustrated Lewis pairs.
Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz; Dalton transactions (Cambridge, England : 2003) 40 (2011) 1091–1097; doi:10.1039/c0dt01255f

data_7014896
_publ_section_title
;
 Reversible, metal-free hydrogen activation by frustrated Lewis pairs.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1091
_journal_page_last               1097
_journal_paper_doi               10.1039/c0dt01255f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C12 H28 P, C18 H12 B F10'
_chemical_formula_sum            'C30 H40 B F10 P'
_chemical_formula_weight         632.40
_chemical_name_common
;Tri-tert-butylphosphonium
cyclohexylbis(pentafluorophenyl)hydridoborate
;
_chemical_name_systematic
;
Tri-tert-butylphosphonium cyclohexylbis(pentafluorophenyl)hydridoborate
;
_space_group_IT_number           61
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41
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; ORTEP-3 for Windows, Version 2.01.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
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; WinGX -- An integrated system of Windows programs for the solution,
refinment and analysis of single crystal X-ray diffraction data,
Version 1.80.00.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
SHELXL97. Program for crystal structure refinement.
Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
PLATON for Windows, Version 1.12.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.
;
_computing_structure_refinement
; SHELXL97. Program for crystal structure refinement.
Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
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; SHELXS97. Program for Crystal Structure solution.
Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4498
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
; Goniometer Xcalibur, detector: Ruby
Oxford Diffraction (2007). Oxford Diffraction Ltd.,
Xcalibur CCD system
;
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
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_exptl_crystal_F_000             2640
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         9356
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_refine_ls_restrained_S_all      0.864
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0508P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0999
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