Crystal structure of tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(2-methylbenzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)
Eagle, Cassandra T.; Atem-Tambe, Nkongho; Kpogo, Kenneth K.; Tan, Jennie; Cook, Kevin M.; Acta Crystallographica Section E 70 (2014) m333–m334; doi:10.1107/S1600536814017930

data_2239919
_publ_section_title
;
 Crystal structure of
 tetrakis(\m-<i>N</i>-phenylacetamidato)-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[(2-methylbenzonitrile-\k<i>N</i>)rhodium(II)](<i>Rh</i>---<i>Rh</i>)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m333
_journal_page_last               m334
_journal_paper_doi               10.1107/S1600536814017930
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Rh2 (C8 H8 N O)4 (C8 H7 N)2]'
_chemical_formula_moiety         'C48 H46 N6 O4 Rh2'
_chemical_formula_sum            'C48 H46 N6 O4 Rh2'
_chemical_formula_weight         976.74
_chemical_name_systematic
Tetrakis(\m-<i>N</i>-phenylacetamidato)-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[(2-methylbenzonitrile-\k<i>N</i>)rhodium(II)](<i>Rh</i>---<i>Rh</i>)
_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
_cell_angle_alpha                103.837(7)
_cell_angle_beta                 99.173(7)
_cell_angle_gamma                99.772(7)
_cell_formula_units_Z            2
_cell_length_a                   9.7912(7)
_cell_length_b                   14.7873(10)
_cell_length_c                   16.3592(11)
_cell_measurement_reflns_used    19839
_cell_measurement_temperature    223
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      3.00
_cell_volume                     2216.4(3)
_computing_cell_refinement       'CrystalClear (Rigaku, 2011)'
_computing_data_collection       'CrystalClear (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear (Rigaku, 2011)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2011)'
_computing_publication_material  'CrystalStructure (Rigaku, 2011)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      223
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23557
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             996.00
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.620
_refine_diff_density_min         -0.510
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     547
_refine_ls_number_reflns         10137
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0257P)^2^+1.5457P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                7966
_reflns_number_total             10137
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            wm5039sup1.cif
_cod_data_source_block           I
_cod_database_code               2239919
_cod_database_fobs_code          2239919