2-(2′-Pyridyl)-4,6-diphenylphosphinine versus 2-(2′-pyridyl)-4,6-diphenylpyridine: an evaluation of their coordination chemistry towards Rh(i)
Carrasco, Ariadna Campos; Pidko, Evgeny A.; Masdeu-Bultó, Anna M.; Lutz, Martin; Spek, Anthony L.; Vogt, Dieter; Müller, Christian; New Journal of Chemistry 34 (2010) 1547–; doi:10.1039/c0nj00030b

data_7053446
_publ_section_title
;
 2-(2&#x2032;-Pyridyl)-4,6-diphenylphosphinine versus
 2-(2&#x2032;-pyridyl)-4,6-diphenylpyridine: an evaluation of their
 coordination chemistry towards Rh(i)
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1547
_journal_paper_doi               10.1039/c0nj00030b
_journal_volume                  34
_journal_year                    2010
_chemical_formula_moiety         'C30 H28 N2 Rh, B F4'
_chemical_formula_sum            'C30 H28 B F4 N2 Rh'
_chemical_formula_weight         606.26
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.250(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4699(7)
_cell_length_b                   13.7427(12)
_cell_length_c                   24.527(2)
_cell_measurement_reflns_used    50900
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      1.69
_cell_volume                     2477.7(4)
_computing_cell_refinement       Peakref
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Eval15, Sadabs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0153
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            61166
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.743
_exptl_absorpt_correction_T_max  0.9785
_exptl_absorpt_correction_T_min  0.7489
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.429
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         5685
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0238P)^2^+2.3234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0574
_reflns_number_gt                4994
_reflns_number_total             5685
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c0nj00030b.txt
_cod_data_source_block           s4340a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7053446