Controlled Reversible Immobilization of Ru Carbene on Single-Walled Carbon Nanotubes: A New Strategy for Green Catalytic Systems Based on a Solvent Effect on π-π Interaction
Guiyan Liu; Bin Wu; Jianzheng Zhang; Xiaoli Wang; Mingbo Shao; Jianhui Wang; Inorganic Chemistry 48 (2009) 2383–2390; doi:10.1021/ic801111h

data_4301642
_publ_section_title
;
Controlled Reversible Immobilization of Ru Carbene on Single-Walled Carbon
Nanotubes: A New Strategy for Green Catalytic Systems Based on a Solvent
Effect on \p-\p Interaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2383
_journal_page_last               2390
_journal_paper_doi               10.1021/ic801111h
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C52 H54 Cl2 N2 O3 Ru'
_chemical_formula_sum            'C50 H Cl2 N9 O2 Ru2'
_chemical_formula_weight         1032.64
_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                 97.846(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.270(3)
_cell_length_b                   13.709(3)
_cell_length_c                   30.786(8)
_cell_measurement_reflns_used    2788
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20.14
_cell_measurement_theta_min      2.35
_cell_volume                     4712(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      273(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0794
_diffrn_reflns_av_sigmaI/netI    0.1257
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            31331
_diffrn_reflns_theta_full        28.06
_diffrn_reflns_theta_max         28.06
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_T_max  0.8325
_exptl_absorpt_correction_T_min  0.7623
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Triangular
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.115
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         11341
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1596
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1270P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1910
_refine_ls_wR_factor_ref         0.2337
_reflns_number_gt                5301
_reflns_number_total             11341
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801111h_si_001.cif
_cod_data_source_block           70509a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4712.1(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301642