Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis
Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs; Journal of the American Chemical Society 133 (2011) 7490–7496; doi:10.1021/ja200246e

data_4106131
_publ_section_title
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 Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis
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_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7490
_journal_page_last               7496
_journal_paper_doi               10.1021/ja200246e
_journal_volume                  133
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C37 H44 Cl2 N2 O Ru'
_chemical_formula_sum            'C37 H44 Cl2 N2 O Ru'
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_chemical_name_systematic
;
 ?
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_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4912(4)
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_cell_length_c                   13.7547(5)
_cell_measurement_reflns_used    9729
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.61
_cell_volume                     1706.33(11)
_computing_cell_refinement       'Bruker SAINT-Plus v7.66A'
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_computing_data_reduction        'Bruker SAINT-Plus v7.66A'
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_diffrn_ambient_temperature      100(2)
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_exptl_absorpt_correction_T_min  0.8761
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Olive green'
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_refine_ls_number_reflns         28701
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_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.006
_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
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_reflns_number_total             28701
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_cod_depositor_comments
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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 'Difference Fourier map' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               4106131