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_7053445
_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 N P Rh, B F4, 0.4(C H2 Cl2)'
_chemical_formula_sum            'C30.4 H28.8 B Cl0.8 F4 N P Rh'
_chemical_formula_weight         657.19
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.8750(6)
_cell_angle_beta                 85.4051(6)
_cell_angle_gamma                71.0572(8)
_cell_formula_units_Z            2
_cell_length_a                   9.7987(2)
_cell_length_b                   10.3575(2)
_cell_length_c                   14.5382(3)
_cell_measurement_reflns_used    25271
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     1387.95(5)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'HKL2000, denzox, Sadabs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21889
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             666
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.034
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         6367
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+1.3773P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                5109
_reflns_number_total             6367
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c0nj00030b.txt
_cod_data_source_block           s4321a
_cod_original_formula_sum        'C30.40 H28.80 B Cl0.80 F4 N P Rh'
_cod_database_code               7053445