μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>)
Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre; IUCrData 4 (2019) x190573–; doi:10.1107/S241431461900573X

data_1551018
_publ_section_title
;
 \m-Carbonyl-bis(carbonyl{\h^5^-[tricarbonyl(\h^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>---<i>Rh</i>)
;
_journal_coeditor_code           NR4002
_journal_issue                   5
_journal_name_full               IUCrData
_journal_page_first              x190573
_journal_paper_doi               10.1107/S241431461900573X
_journal_volume                  4
_journal_year                    2019
_chemical_formula_iupac          '[Cr2 Rh2 (C10 H9)2 (C O)9]'
_chemical_formula_moiety         'C29 H18 Cr2 O9 Rh2'
_chemical_formula_sum            'C29 H18 Cr2 O9 Rh2'
_chemical_formula_weight         820.25
_chemical_name_systematic
;\m-Carbonyl-2:3\k^2^<i>C</i>:<i>C</i>-octacarbonyl-1\k^3^<i>C</i>,
2\k<i>C</i>,3\k<i>C</i>,4\k^3^<i>C</i>-bis[1:2\m-(\h^6^:\h^5^);3:4\m-(\h^5^:\h^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>---<i>Rh</i>)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 105.8760(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.3335(2)
_cell_length_b                   32.6839(9)
_cell_length_c                   15.9743(4)
_cell_measurement_reflns_used    55124
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     5691.5(2)
_computing_cell_refinement
;
SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_data_collection
;
COLLECT (Nonius, 1998)
;
_computing_data_reduction
;
DENZO and SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2013 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_av_unetI/netI     0.0924
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37459
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.464
_diffrn_reflns_theta_min         1.246
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.937
_exptl_absorpt_correction_T_max  0.79594
_exptl_absorpt_correction_T_min  0.71825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(MULABS in PLATON; Spek, 2009)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.915
_exptl_crystal_description       prism
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.936
_refine_diff_density_min         -1.028
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         12891
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0268P)^2^+16.6310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                8387
_reflns_number_total             12891
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nr4002sup1.cif
_cod_data_source_block           I
_cod_database_code               1551018
_shelx_hkl_checksum              25761
_shelx_res_checksum              22581
_cod_database_fobs_code 1551018