C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates
Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki; RSC Advances 1 (2011) 1279–; doi:10.1039/c1ra00572c

data_7238444
_publ_section_title
;
 C(naphthyl)--H bond activation by rhodium: isolation, characterization
 and TD-DFT study of the cyclometallates
;
_journal_issue                   7
_journal_name_full               'RSC Advances'
_journal_page_first              1279
_journal_paper_doi               10.1039/c1ra00572c
_journal_volume                  1
_journal_year                    2011
_chemical_formula_moiety         'C53 H42 Cl N2 O P2 Rh'
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'Siemens P4'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
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'calc w=1/[\s^2^(Fo^2^)+(0.0296P)^2^+2.4639P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            c1ra00572c.txt
_cod_data_source_block           2a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        4384.03(11)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7238444