The reductive P-P coupling of primary and secondary phosphines mediated by N-heterocyclic carbenes
Heidi Schneider; David Schmidt; Udo Radius; Chem.Commun. 51 (2015) 10138–; doi:10.1039/C5cc02517F

data_7117290
_publ_section_title
;
 The reductive P-P coupling of primary and secondary phosphines mediated
 by N-heterocyclic carbenes
;
_journal_name_full               Chem.Commun.
_journal_page_first              10138
_journal_paper_doi               10.1039/C5cc02517F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C42 H42 P6'
_chemical_formula_weight         732.57
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-03-25 deposited with the CCDC.
2015-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   13.896(3)
_cell_length_b                   13.896(3)
_cell_length_c                   20.034(4)
_cell_measurement_reflns_used    4669
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.9365
_cell_measurement_theta_min      2.6455
_cell_volume                     3350.3(12)
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_laue_measured_fraction_full 0.956
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7835
_diffrn_reflns_point_group_measured_fraction_full 0.956
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_diffrn_reflns_theta_full        26.000
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_diffrn_reflns_theta_min         1.974
_exptl_absorpt_coefficient_mu    0.266
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_exptl_absorpt_correction_type   analytical
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.34
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_refine_diff_density_min         -0.183
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_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         1405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0483
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_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^)+(0.0695P)^2^+2.2646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                1184
_reflns_number_total             1405
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc02517f2.cif
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_cod_original_cell_volume        3350.0(17)
_cod_database_code               7117290
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_shelx_res_checksum              72250