Rhodium(III) complexes with a bidentate N-heterocyclic carbene ligand bearing flexible dendritic frameworks.
Fujihara, Tetsuaki; Obora, Yasushi; Tokunaga, Makoto; Tsuji, Yasushi; Dalton transactions (Cambridge, England : 2003)  (2007) 1567–1569; doi:10.1039/b701104k

data_7005349
_publ_section_title
;
 Rhodium(III) complexes with a bidentate N-heterocyclic carbene ligand
 bearing flexible dendritic frameworks.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1567
_journal_page_last               1569
_journal_paper_doi               10.1039/b701104k
_journal_year                    2007
_chemical_formula_moiety         'C51 H47 I2 N4 O6 Rh, C2 H3 N '
_chemical_formula_sum            'C53 H50 I2 N5 O6 Rh'
_chemical_formula_weight         1209.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.083(12)
_cell_angle_beta                 85.573(14)
_cell_angle_gamma                78.379(9)
_cell_formula_units_Z            2
_cell_length_a                   9.338(4)
_cell_length_b                   13.972(6)
_cell_length_c                   20.243(8)
_cell_measurement_reflns_used    7837
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2461.2(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16404
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.656
_exptl_absorpt_correction_T_max  0.718
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1204.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.13
_refine_diff_density_min         -0.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     654
_refine_ls_number_reflns         10345
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1017
_reflns_number_gt                8789
_reflns_number_total             10345
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b701104k.txt
_cod_data_source_block           3b
_cod_original_cell_volume        2461.0(18)
_cod_original_formula_sum        'C53 H50 I2 N5 O6 Rh '
_cod_database_code               7005349