Ionic Liquid Anchored “Boomerang” Catalysts Bearing Saturated and Unsaturated NHCs: Recyclability in Biphasic Media for Cross-Metathesis
Clavier, Hervé; Nolan, Steven P.; Mauduit, Marc; Organometallics 27 (2008) 2287–; doi:10.1021/om8000229

data_4071185
_publ_section_title
;
 Ionic Liquid Anchored &#x201C;Boomerang&#x201D; Catalysts Bearing
 Saturated and Unsaturated NHCs: Recyclability in Biphasic Media for
 Cross-Metathesis
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2287
_journal_paper_doi               10.1021/om8000229
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C40 H51 Cl6 F6 N4 O P Ru'
_chemical_formula_weight         1062.59
_chemical_name_systematic
;

 ?

;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 95.455(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.998(2)
_cell_length_b                   10.1734(10)
_cell_length_c                   19.0161(19)
_cell_measurement_reflns_used    8626
_cell_measurement_temperature    100(2)
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_computing_cell_refinement       'Bruker-Nonius Apex v1.0-22 2002'
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_computing_structure_solution    'Shelxtl Version 6.12 (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
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_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
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_diffrn_source                   'rotating anode X-ray tube'
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_diffrn_source_size              '3 mm x 0.3 mm fine focus'
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_exptl_absorpt_coefficient_mu    0.782
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 SADABS Version 2.1 2003 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.20
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_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.834
_refine_diff_density_min         -1.581
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0641P)^2^+4.2071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1422
_reflns_number_gt                14863
_reflns_number_total             20547
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8000229-file013.cif
_cod_data_source_block           hccatilp21c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_measurement_specimen_suppport' tag replaced with
'_diffrn_measurement_specimen_support'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4621.5(8)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4071185