A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven Oxidation Reactions
Hennessey, Seán; Farras Costa, Pau; Benet-Buchholz, Jordi; Llobet, Antoni; Catalysis Science & Technology  (2019) –; doi:10.1039/C9CY01796H

data_1552752
_publ_section_title
;
 A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven
 Oxidation Reactions
;
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_paper_doi               10.1039/C9CY01796H
_journal_year                    2019
_chemical_formula_sum            'C50 H39 F18 N12 P3 Ru2'
_chemical_formula_weight         1444.98
_space_group_crystal_system      triclinic
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2019-09-02 deposited with the CCDC.	2019-11-05 downloaded from the CCDC.
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'shelXle (H\"ubschle, Sheldrick and Dittirch, 2011)'
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;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
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_diffrn_source                   'rotating anode X-ray tube'
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_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            black
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_exptl_crystal_description       plate
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_refine_diff_density_max         1.748
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0413P)^2^+0.8142P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0953
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15774
_reflns_number_total             20607
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cy01796h2.cif
_cod_data_source_block           PF24M_0m
_cod_depositor_comments
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The following automatic conversions were performed:

data name '_diffrn_measurement_specimen_suppport' was replaced with
'_diffrn_measurement_specimen_support' as specified in the
replacement file
'/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 
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_cod_database_code               1552752
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              54420