Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.
Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois; Journal of the American Chemical Society 142 (2020) 18541–18553; doi:10.1021/jacs.0c07808

data_4135305
_publ_section_title
;
 Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene
 Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.
;
_journal_issue                   43
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18541
_journal_page_last               18553
_journal_paper_doi               10.1021/jacs.0c07808
_journal_volume                  142
_journal_year                    2020
_chemical_formula_moiety         'C32 H51 Cl O4 Ru Si2'
_chemical_formula_sum            'C32 H51 Cl O4 Ru Si2'
_chemical_formula_weight         692.42
_chemical_name_systematic
;
 1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl-
 prop-2-en-1-yl-carboxylato)-cyclobutadienyl-
 pentamethylcyclopentadienyl-chloro-ruthenium(II)
;
_chemical_properties_physical    none
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_cell_length_c                   20.9915(14)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker-AXS Kappa Mach3 APEX-II'
_diffrn_measurement_method       'CCD \f- and \w-scans'
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent:  diethylether'
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_exptl_crystal_size_mid          0.037
_exptl_crystal_size_min          0.031
_refine_diff_density_max         1.157
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         22052
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0576P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1147
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15513
_reflns_number_total             22052
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4135300--4135305.cif.'
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_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.963
_shelx_estimated_absorpt_t_max   0.981
_shelx_res_checksum              18866
_shelx_hkl_checksum              8863