Rhodium(ii) dimers without metal-metal bonds.
Zhu, Di; Sharma, Arzoo Z.; Wiebe, Christopher R.; Budzelaar, Peter H. M.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 13460–13463; doi:10.1039/c5dt02218e

data_7035574
_publ_section_title
;
 Rhodium(ii) dimers without metal-metal bonds.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13460
_journal_page_last               13463
_journal_paper_doi               10.1039/c5dt02218e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C42 H62 Br2 N4 Rh2, C7'
_chemical_formula_sum            'C49 H62 Br2 N4 Rh2'
_chemical_formula_weight         1072.67
_chemical_name_systematic
'bis(\m~2~-Bromo)-bis(N,N'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato-N,N')-diphenyl-di-rhodium(II) toluene solvate'
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-09 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 131.564(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.862(7)
_cell_length_b                   11.848(5)
_cell_length_c                   14.220(5)
_cell_measurement_reflns_used    9409
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.988
_cell_measurement_theta_min      2.8855
_cell_volume                     2377.7(16)
_computing_cell_refinement       'APEX2 software suite'
_computing_data_collection       'APEX2 software suite'
_computing_data_reduction        'APEX2 software suite'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker D8 three-circle diffractometer with an APEX-II CCD detector'
_diffrn_measurement_method       'area detector \f and \w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0123
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8868
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.89
_diffrn_source                   'rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    2.411
_exptl_absorpt_correction_T_max  0.9805
_exptl_absorpt_correction_T_min  0.7724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            deep-green
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'a irregular block'
_exptl_crystal_F_000             1088
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene, hexane, thf'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.0036(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2336
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0639P)^2^+5.9921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                2251
_reflns_number_total             2336
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c5dt02218e3.cif
_cod_data_source_block           1b
_cod_depositor_comments
'Adding full bibliography for 7035573--7035574.cif.'
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7035574