Synthesis and properties of Rh(I) and Ir(I) distibine complexes with organometallic co-ligands.
Brown, Michael D.; Levason, William; Reid, Gillian; Webster, Michael; Dalton transactions (Cambridge, England : 2003)  (2006) 4039–4046; doi:10.1039/b605198g

data_7007440
_publ_section_title
;
 Synthesis and properties of Rh(I) and Ir(I) distibine complexes with
 organometallic co-ligands.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4039
_journal_page_last               4046
_journal_paper_doi               10.1039/b605198g
_journal_year                    2006
_chemical_formula_moiety         'C55 H52 O Rh Sb4 1+, F6 P 1-, 0.75(C H2 Cl2)'
_chemical_formula_structural
'(Rh (C O) (C27 H26 Sb2)2) (P F6) (C H2 Cl2)0.75'
_chemical_formula_sum            'C55.75 H53.5 Cl1.5 F6 O P Rh Sb4'
_chemical_formula_weight         1527.54
_chemical_name_systematic
;
carbonylbis(1,3-bis(diphenylstibino)propane)rhodium(I)
hexafluorophosphate(V) dichloromethane solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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             2005-11-24
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                74.016(5)
_cell_angle_beta                 80.152(7)
_cell_angle_gamma                82.929(7)
_cell_formula_units_Z            4
_cell_length_a                   13.5141(10)
_cell_length_b                   20.129(3)
_cell_length_c                   21.133(3)
_cell_measurement_reflns_used    23207
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     5427.5(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'area detector, Nonius Kappa ccd'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            94727
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         2.95
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.426
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2003). SADABS. Version 2.10. Bruker AXS Inc.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2958
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.535
_refine_diff_density_min         -1.573
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1265
_refine_ls_number_reflns         24949
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0283P)^2^+34.7075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                18216
_reflns_number_total             24949
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b605198g.txt
_cod_data_source_block           05mdb008
_cod_original_cell_volume        5427.5(10)
_cod_original_formula_sum        'C55.75 H53.50 Cl1.50 F6 O P Rh Sb4'
_cod_database_code               7007440