Crystallography Open Database

Information card for entry 7009329

Preview

Coordinates	7009329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H39 Lu O3
Calculated formula	C54 H39 Lu O3
Title of publication	A simple synthesis and a structural survey of homoleptic rare earth(III) 2,6-diphenylphenolates
Authors of publication	Deacon, Glen B.; Feng, Tiecheng; Forsyth, Craig M.; Gitlits, Alex; Hockless, David C. R.; Shen, Qi; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	6
Pages of publication	961
a	15.888 ± 0.006 Å
b	13.524 ± 0.003 Å
c	10.939 ± 0.004 Å
α	116.49 ± 0.02°
β	92.86 ± 0.03°
γ	103.63 ± 0.02°
Cell volume	2011.7 ± 1.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.059
Weighted residual factors for significantly intense reflections	0.048
Goodness-of-fit parameter for all reflections	1.124
Goodness-of-fit parameter for significantly intense reflections	1.136
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7009329.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009329.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009329.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009329.cif