Model Compounds of Ruthenium-Alkene Intermediates in Olefin Metathesis Reactions
Donde R. Anderson; Daniel D. Hickstein; Daniel J. O'Leary; Robert H. Grubbs; Journal of the American Chemical Society 128 (2006) 8386–8387; doi:10.1021/ja0618090

data_4110697
_publ_section_title
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 Model Compounds of Ruthenium-Alkene Intermediates in Olefin Metathesis
 Reactions
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_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8386
_journal_page_last               8387
_journal_paper_doi               10.1021/ja0618090
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C30 H34 Cl2 N2 Ru'
_chemical_formula_weight         594.56
_chemical_name_systematic
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 ? 
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_cell_length_b                   16.5926(10)
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_diffrn_measured_fraction_theta_max 0.965
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_diffrn_measurement_method       '\w scans at 5 \f settings'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -29
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_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.706
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/s^2^(Fo^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                3704
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0618090si20060315_114021.cif
_cod_data_source_block           dra22
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

'_atom_sites_solution_secondary' value 'Difference Fourier map' was
changed to 'difmap'.

'_atom_sites_solution_hydrogens' value 'Geometric positions' was
changed to 'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               4110697