Tetraethylammonium tetra-μ-benzamidato-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dichlorodirhodate(II,III)<i>(Rh{—</i>Rh)} dichloromethane disolvate
Ebihara, Masahiro; Yamada, Kaori; Acta Crystallographica Section E 62 (2006) m2377–m2379; doi:10.1107/S1600536806034209

data_2210345
_publ_section_title
;Tetraethylammonium
 tetra-\m-benzamidato-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-dichlorodirhodate(II,III)<i>(Rh{---</i>Rh)}
 dichloromethane disolvate
;
_journal_coeditor_code           NG2071
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2377
_journal_page_last               m2379
_journal_paper_doi               10.1107/S1600536806034209
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'(C8 H20 N) [Rh2 (C7 H6 N O)4 Cl2] , 2C H2 Cl2'
_chemical_formula_moiety
'C8 H20 N + , C28 H24 Cl2 N4 O4 Rh2 - , 2C H2 Cl2'
_chemical_formula_sum            'C38 H48 Cl6 N5 O4 Rh2'
_chemical_formula_weight         1057.33
_chemical_name_systematic
;
Tetraethylammonium
dichlorotetra-\m-benzamidato-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-
dirhodate(II,III)(Rh---Rh) dichloromethane disolvate
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                76.571(16)
_cell_angle_beta                 66.996(13)
_cell_angle_gamma                83.479(18)
_cell_formula_units_Z            1
_cell_length_a                   9.649(5)
_cell_length_b                   10.506(6)
_cell_length_c                   12.202(6)
_cell_measurement_reflns_used    3033
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.0
_cell_measurement_theta_min      6.0
_cell_volume                     1107.1(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection
'CrystalClear (Molecular Structure Corporation & Rigaku, 2001)'
_computing_data_reduction        'TEXSAN (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 and TEXSAN'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            9060
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.151
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             535
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.797
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         5028
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0319P)^2^+2.8887P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                4109
_reflns_number_total             5028
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2071.cif
_cod_data_source_block           I
_cod_database_code               2210345
_cod_database_fobs_code          2210345