Ambiphilic geometrically constrained phosphenium cation.
Volodarsky, Solomon; Dobrovetsky, Roman; Chemical communications (Cambridge, England) 54 (2018) 6931–6934; doi:10.1039/c8cc02423e

data_7121763
_publ_section_title
;
 Ambiphilic geometrically constrained phosphenium cation.
;
_journal_issue                   50
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6931
_journal_page_last               6934
_journal_paper_doi               10.1039/c8cc02423e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C24 B F20, C33 H43 N O2 P'
_chemical_formula_sum            'C57 H43 B F20 N O2 P'
_chemical_formula_weight         1195.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2018-03-21 deposited with the CCDC.
2018-05-28 downloaded from the CCDC.
;
_cell_angle_alpha                100.1570(10)
_cell_angle_beta                 95.5620(10)
_cell_angle_gamma                112.0120(10)
_cell_formula_units_Z            2
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_cell_measurement_temperature    110(2)
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_cell_measurement_theta_min      1.656
_cell_volume                     2672.94(11)
_computing_cell_refinement       'Saint, Bruker-AXS'
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      110(2)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'ApexDuo, Bruker-AXS'
_diffrn_measurement_method       '1 deg. \f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35428
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.489
_diffrn_reflns_theta_min         1.656
_diffrn_source                   'ImuS micro-focus'
_exptl_absorpt_coefficient_mu    0.166
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, Bruker-AXS'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.245
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         13414
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0471
_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^)+(0.0862P)^2^+1.1853P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1556
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10075
_reflns_number_total             13414
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc02423e2.cif
_cod_data_source_block           rom25
_cod_depositor_comments          'Adding full bibliography for 7121763.cif.'
_cod_original_cell_volume        2672.93(11)
_cod_database_code               7121763
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.961
_shelx_estimated_absorpt_t_max   0.969
_shelx_res_checksum              90932