Crystallography Open Database

Information card for entry 7012663

Preview

Coordinates	7012663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H53 Cl2 N2 O2 Si2 Ta
Calculated formula	C60 H53 Cl2 N2 O2 Si2 Ta
Title of publication	The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/
Authors of publication	Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	8
Pages of publication	1620
a	11.179 ± 0.0002 Å
b	20.4517 ± 0.0005 Å
c	13.5288 ± 0.0004 Å
α	90°
β	109.926 ± 0.001°
γ	90°
Cell volume	2907.9 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
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.	7012663.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012663.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012663.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.	7012663.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012663.cif