Enhanced Rate of Arene Hydrogenation with Imidazolium Functionalized Bipyridine Stabilized Rhodium Nanoparticle Catalysts
Ryan R. Dykeman; Ning Yan; Rosario Scopelliti; Paul J. Dyson; Inorganic Chemistry 50 (2011) 717–719; doi:10.1021/ic102041q

data_4324371
_publ_section_title
;
 Enhanced Rate of Arene Hydrogenation with Imidazolium Functionalized
 Bipyridine Stabilized Rhodium Nanoparticle Catalysts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              717
_journal_page_last               719
_journal_paper_doi               10.1021/ic102041q
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C22 H26 N6, 0.5(H2 O), 2(Cl)'
_chemical_formula_sum            'C22 H27 Cl2 N6 O0.5'
_chemical_formula_weight         454.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.594(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.4180(9)
_cell_length_b                   13.900(2)
_cell_length_c                   13.010(2)
_cell_measurement_reflns_used    59
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      19.131
_cell_measurement_theta_min      3.299
_cell_volume                     1155.1(3)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21970
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.33
_exptl_absorpt_coefficient_mu    0.305
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10, G.M.Sheldrick, 2003'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_description       needle
_exptl_crystal_F_000             478
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2645
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.1176
_refine_ls_R_factor_gt           0.0608
_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^)+(0.0299P)^2^+2.4638P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1503
_reflns_number_gt                1652
_reflns_number_total             2645
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102041q_si_001.cif
_cod_data_source_block           rd-1-106b
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C22 H27 Cl2 N6 O0.50'
_cod_database_code               4324371