Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility and dissymmetry in ruthenium-catalysed olefin metathesis.
Rouen, Mathieu; Borré, Etienne; Falivene, Laura; Toupet, Loic; Berthod, Mikaël; Cavallo, Luigi; Olivier-Bourbigou, Hélène; Mauduit, Marc; Dalton transactions (Cambridge, England : 2003) 43 (2014) 7044–7049; doi:10.1039/c4dt00142g

data_7029858
_publ_section_title
;
 Cycloalkyl-based unsymmetrical unsaturated (U2)-NHC ligands: flexibility
 and dissymmetry in ruthenium-catalysed olefin metathesis.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7044
_journal_page_last               7049
_journal_paper_doi               10.1039/c4dt00142g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C36 H48 Cl2 F3 N3 O2 Ru'
_chemical_formula_weight         783.74
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_cell_measurement_temperature    120(2)
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_cell_volume                     4073.24(9)
_computing_cell_refinement
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_collection
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
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_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            56848
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_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.60
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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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^)+(0.1131P)^2^+1.4382P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c4dt00142g2.cif
_cod_data_source_block           mr244_120k
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for
 ./tmp-cod-update-bibliographies-12899/cifs/7029858.cif.
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7029858