On the Reactivity of Rhodium(I) Complexes with κP-Coordinated γ-Phosphino-Functionalized Propyl Phenyl Sulfide Ligands: Routes to Cyclic Rhodium Complexes with κC,κP- and κP,κS-Coordinated Ligands as Well as Bis(diphenylphosphino)methanide Ligands
Block, Michael; Kluge, Tim; Bette, Martin; Schmidt, Jürgen; Steinborn, Dirk; Organometallics 29 (2010) 6749–; doi:10.1021/om100878n

data_4067186
_publ_section_title
;
 On the Reactivity of Rhodium(I) Complexes with \kP-Coordinated
 \g-Phosphino-Functionalized Propyl Phenyl Sulfide Ligands: Routes to
 Cyclic Rhodium Complexes with \kC,\kP- and \kP,\kS-Coordinated Ligands as
 Well as Bis(diphenylphosphino)methanide Ligands
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6749
_journal_paper_doi               10.1021/om100878n
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C46 H54 P3 Rh S, C4 H8 O'
_chemical_formula_sum            'C50 H62 O P3 Rh S'
_chemical_formula_weight         906.88
_chemical_name_systematic
; 
 ? 
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.115(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.3550(12)
_cell_length_b                   10.0885(7)
_cell_length_c                   20.2637(10)
_cell_measurement_reflns_used    21815
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      1.5
_cell_volume                     4563.0(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  IPDS2T
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            52849
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    0.561
_exptl_absorpt_correction_T_max  0.8738
_exptl_absorpt_correction_T_min  0.7903
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(IPDS Software; Stoe & Cie, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.602
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         11001
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+0.9938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0686
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                9778
_reflns_number_total             11001
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100878n_si_002.cif
_cod_data_source_block           c:\xray\i2t0273\i2t0273
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4067186