Crystallography Open Database

Information card for entry 7211894

Preview

Coordinates	7211894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 Cu3 N8 O15
Calculated formula	C54 H38 Cu3 N8 O15
Title of publication	Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands
Authors of publication	Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	2
Pages of publication	612
a	8.9636 ± 0.001 Å
b	20.589 ± 0.002 Å
c	13.5194 ± 0.0015 Å
α	90°
β	99.469 ± 0.002°
γ	90°
Cell volume	2461 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1193
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
180449 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/18.	7211894.cif
92459	2014-01-12	cif/ Adding structures of 7211890, 7211891, 7211892, 7211893, 7211894 via cif-deposit CGI script.	7211894.cif