Crystallography Open Database

Information card for entry 7008924

Preview

Coordinates	7008924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Cl2 N O P2 Ru
Calculated formula	C44 H38 Cl2 N O P2 Ru
Title of publication	Ruthenium-mediated reduction of oximes to imines. Synthesis, characterization and redox properties of imine complexes of ruthenium
Authors of publication	Das, Anjan Kumar; Peng, Shie-Ming; Bhattacharya, Samaresh
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	2
Pages of publication	181
a	9.471 ± 0.003 Å
b	23.981 ± 0.003 Å
c	17.29 ± 0.005 Å
α	90°
β	97.23 ± 0.03°
γ	90°
Cell volume	3895.8 ± 1.8 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections	0.028
Weighted residual factors for significantly intense reflections	0.028
Goodness-of-fit parameter for significantly intense reflections	2.75
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7008924.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7008924.cif
132129	2015-02-20	cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ \| awk '{print $1}' \ \| codid2file \ \| xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. \| insert\ name\ here \| name\ here \| Insert\ the\ systematic\ name\ here \| systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms'	7008924.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008924.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008924.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7008924.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008924.cif