<i>cis</i>-Tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)
Eagle, Cassandra T.; Quarshie, Fredricka; Ketron, Megan E.; Atem-Tambe, Nkongho; Acta Crystallographica Section E 69 (2013) m329–; doi:10.1107/S1600536813012828

data_2237960
_publ_section_title
;
 <i>cis</i>-Tetrakis(\m-<i>N</i>-phenylacetamidato)-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-\k<i>N</i>)rhodium(II)](<i>Rh</i>---<i>Rh</i>)
;
_journal_coeditor_code           MW2103
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m329
_journal_paper_doi               10.1107/S1600536813012828
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Rh2 (C8 H8 N O)4 (C7 H5 N)2]'
_chemical_formula_moiety         'C46 H42 N6 O4 Rh2'
_chemical_formula_sum            'C46 H42 N6 O4 Rh2'
_chemical_formula_weight         948.69
_chemical_name_systematic
<i>cis</i>-Tetrakis(\m-<i>N</i>-phenylacetamidato)-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-\k<i>N</i>)rhodium(II)](<i>Rh</i>---<i>Rh</i>)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.971(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.2115(7)
_cell_length_b                   9.9667(7)
_cell_length_c                   21.3672(16)
_cell_measurement_reflns_used    20104
_cell_measurement_temperature    223
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.20
_cell_volume                     2134.9(3)
_computing_cell_refinement       '<i>CrystalClear-SM Auto</i> (Rigaku, 2011)'
_computing_data_collection       '<i>CrystalClear-SM Auto</i> (Rigaku, 2011)'
_computing_data_reduction        '<i>CrystalClear-SM Auto</i> (Rigaku, 2011)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2010)'
_computing_publication_material  'CrystalStructure (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      223
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21686
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.821
_exptl_absorpt_correction_T_max  0.8796
_exptl_absorpt_correction_T_min  0.6886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             964.00
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.390
_refine_diff_density_min         -0.340
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4872
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0214
_refine_ls_shift/su_max          0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0268P)^2^+0.9991P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0544
_reflns_number_gt                4413
_reflns_number_total             4872
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            mw2103.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2237960
_cod_database_fobs_code          2237960