Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate
Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.; ACS Catalysis 7 (2017) 2367–; doi:10.1021/acscatal.7b00109

data_4514041
_publ_section_title
;
 Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and
 CO2: Characterization of a Putative Catalytic Intermediate
;
_journal_issue                   4
_journal_name_full               'ACS Catalysis'
_journal_page_first              2367
_journal_paper_doi               10.1021/acscatal.7b00109
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C24 H17 Cl7 N O5 V'
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_cell_length_c                   28.541(4)
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_computing_structure_solution    Sir2011
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_diffrn_detector_area_resol_mean 512
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_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
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_diffrn_reflns_av_unetI/netI     0.1086
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_limit_l_min       -37
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_diffrn_source                   'Microfocus source E025 IuS'
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_diffrn_source_type              'Bruker APEX DUO'
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_exptl_absorpt_process_details
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            brown
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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^)+(0.0302P)^2^+24.9121P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1772
_refine_ls_wR_factor_ref         0.1935
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4566
_reflns_number_total             6731
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs7b00109_si_003.cif
_cod_data_source_block           mo_JR1623B_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4514040--4514041.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4514041
_shelx_estimated_absorpt_t_min   0.808
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_shelxl_version_number           2014-3
_shelx_res_checksum              43988
_shelx_hkl_checksum              29470