Decomposition of Ruthenium Olefin Metathesis Catalysts
Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs; Journal of the American Chemical Society 129 (2007) 7961–7968; doi:10.1021/ja0713577

data_4109566
_publ_section_title
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 Decomposition of Ruthenium Olefin Metathesis Catalysts
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7961
_journal_page_last               7968
_journal_paper_doi               10.1021/ja0713577
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C19 H36 P, 3(H2 O), Cl'
_chemical_formula_sum            'C19 H42 Cl O3 P'
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_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 74.3040(10)
_cell_angle_gamma                63.5350(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8774(4)
_cell_length_b                   10.0035(5)
_cell_length_c                   12.7700(6)
_cell_measurement_reflns_used    8830
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.53
_cell_measurement_theta_min      2.47
_cell_volume                     1086.48(9)
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_diffrn_measured_fraction_theta_max 0.796
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       '\w scans at 5 \f settings'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         35.91
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_refine_ls_R_factor_gt           0.0383
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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          0.0724
_refine_ls_wR_factor_ref         0.0772
_reflns_number_gt                5822
_reflns_number_total             8153
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0713577si20070226_014617.cif
_cod_data_source_block           compound7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'Mixed' changed to 'mixed'
according to the built-in table from CIF Core 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 

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               4109566