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_4324372
_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         'C25 H26 Cl N6 O3 Re, 2(C2 F6 N O4 S2)'
_chemical_formula_sum            'C29 H26 Cl F12 N8 O11 Re S4'
_chemical_formula_weight         1240.47
_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                 103.804(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5640(9)
_cell_length_b                   39.640(5)
_cell_length_c                   12.864(2)
_cell_measurement_reflns_used    9395
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      28.8620
_cell_measurement_theta_min      2.8882
_cell_volume                     4240.9(10)
_computing_cell_refinement
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) 
(compiled Apr 28 2010,14:27:37) 
;
_computing_data_collection
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) 
(compiled Apr 28 2010,14:27:37) 
;
_computing_data_reduction
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) 
(compiled Apr 28 2010,14:27:37) 
;
_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      140(2)
_diffrn_detector_area_resol_mean 8.2812
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Oxford Diffraction, KM4/Sapphire 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9980
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    3.244
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) 
(compiled Apr 28 2010,14:27:37) 
empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.943
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.265
_refine_diff_density_min         -2.799
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     765
_refine_ls_number_reflns         9980
_refine_ls_number_restraints     186
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0183P)^2^+29.1256P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                8899
_reflns_number_total             9980
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102041q_si_003.cif
_cod_data_source_block           rd-2-132
_cod_original_cell_volume        4240.8(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4324372