Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions
Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.; RSC Advances 11 (2021) 37866–37876; doi:10.1039/D1RA07428H

data_7243967
_publ_section_title
;
 Highly efficient Ru(ii)--alkylidene based Hoveyda--Grubbs catalysts for
 ring-closing metathesis reactions
;
_journal_issue                   60
_journal_name_full               'RSC Advances'
_journal_page_first              37866
_journal_page_last               37876
_journal_paper_doi               10.1039/D1RA07428H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_sum            'C38 H43 Cl2 N3 O3 Ru'
_chemical_formula_weight         761.72
_space_group_crystal_system      triclinic
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_audit_update_record
;
2021-08-25 deposited with the CCDC.	2021-11-10 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
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_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_Laue_measured_fraction_full 0.991
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_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_point_group_measured_fraction_full 0.991
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            green
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_refine_diff_density_max         0.401
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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^)+(0.0283P)^2^+1.1519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0688
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5934
_reflns_number_total             6204
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra07428h2.cif
_cod_data_source_block           solve1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7243967
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.402
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_shelx_res_checksum              2563