Crystallography Open Database

Information card for entry 7002896

Preview

Coordinates	7002896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H58 Ce2 N24 O16
Calculated formula	C73 H58 Ce2 N24 O16
Title of publication	Systematic investigation of an array of TCNQ lanthanide complexes: synthesis, structure and magnetic properties
Authors of publication	Zhang, Juwen; Yan, Pengfei; Li, Guangming; Hou, Guangfeng; Suda, Masayuki; Einaga, Yasuaki
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	47
Pages of publication	10466 - 10473
a	11.937 ± 0.002 Å
b	13.387 ± 0.003 Å
c	13.878 ± 0.003 Å
α	106.51 ± 0.03°
β	101.9 ± 0.03°
γ	100.78 ± 0.03°
Cell volume	2008 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.2402
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7002896.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002896.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002896.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002896.cif