A tri-μ-chloro dirhodium (III) complex [Rh~2~(μ-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos = CH~3~C(CH~2~PPh~2~)~3~]
Bachechi, Fiorella; Acta Crystallographica Section C 50 (1994) 1069–1072; doi:10.1107/S0108270194001095

data_2009888
_publ_contact_author
;
     Dr. Fiorella Bachechi
     Istituto di Strutturistica Chimica
     "Giordano Giacomello", C.N.R
     Area della Ricerca di Roma
     P.O. Box 10
     I-00016 Monterotondo Stazione (Roma)
     Italy
;
_publ_section_title
;
 A tri-\m-chloro dirhodium (III) complex
 [Rh~2~(\m-Cl)~3~(triphos)~2~](CF~3~SO~3~)~3~ [triphos =
 CH~3~C(CH~2~PPh~2~)~3~]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1069
_journal_page_last               1072
_journal_paper_doi               10.1107/S0108270194001095
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C82 H78 Cl3 P6 Rh2,3C F3 O3 S'
_chemical_formula_sum            'C85 H78 Cl3 F9 O9 P6 Rh2 S3'
_chemical_formula_weight         2008.7
_chemical_name_systematic
;
tris(\m-chloro)-bis[1,1,1-tris(diphenylphosphinomethyl)ethane-
P, P', P'']dirhodium(III) trifluoromethanesulfonate
;
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3 '
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8.00
_cell_length_a                   26.430(6)
_cell_length_b                   26.430(6)
_cell_length_c                   26.430(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.0
_cell_measurement_theta_min      14.0
_cell_volume                     18463(7)
_computing_structure_refinement  'CAOS (Cerrini & Spagna, 1977)'
_computing_structure_solution    'CAOS (Cerrini & Spagna, 1977)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       'profile data from \w scans'
_diffrn_radiation_monochromator  'equatorial mounted graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6681
_diffrn_reflns_theta_max         28.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        8.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.6776
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.22
_exptl_absorpt_correction_type   'empirical with \y-scan at \c=90\%, normal'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       Prism
_exptl_crystal_F_000             8160
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.28
_refine_ls_goodness_of_fit_obs   4.12
_refine_ls_hydrogen_treatment    'riding on the parent carbon atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         1792
_refine_ls_R_factor_obs          0.0680
_refine_ls_shift/esd_max         0.90
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma w = 1/\s^2^(F^2^)'
_refine_ls_wR_factor_obs         0.0759
_reflns_number_observed          1782
_reflns_number_total             3893
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            na1075.cif
_cod_data_source_block           BACHECHI
_cod_original_cell_volume        18462(7)
_cod_original_sg_symbol_H-M      'P a  -3 '
_cod_database_code               2009888