Bonding mode of a new bis-phosphine-borane alkyl ligand to a Rh(I) species.
Blug, Matthias; Grünstein, Dan; Alcaraz, Gilles; Sabo-Etienne, Sylviane; Le Goff, Xavier-Frederic; Le Floch, Pascal; Mézailles, Nicolas; Chemical communications (Cambridge, England) 34 (2009) 4432–4434; doi:10.1039/b907813d

data_7104629
_publ_section_title
;
 Bonding mode of a new bis-phosphine-borane alkyl ligand to a Rh(I)
 species.
;
_journal_issue                   29
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4432
_journal_page_last               4434
_journal_paper_doi               10.1039/b907813d
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C54 H64 B4 Li2 O P4'
_chemical_formula_sum            'C54 H64 B4 Li2 O P4'
_chemical_formula_weight         910.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_date             2009-03-26
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.319(1)
_cell_angle_beta                 95.282(1)
_cell_angle_gamma                107.191(1)
_cell_formula_units_Z            2
_cell_length_a                   9.875(1)
_cell_length_b                   11.398(1)
_cell_length_c                   25.171(1)
_cell_measurement_reflns_used    204418
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     2641.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            31105
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    0.179
_exptl_absorpt_correction_T_max  0.9651
_exptl_absorpt_correction_T_min  0.9318
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         15121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0810P)^2^+1.6426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1539
_refine_ls_wR_factor_ref         0.1688
_reflns_number_gt                11550
_reflns_number_total             15121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b907813d.txt
_cod_data_source_block           xj288
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7104629