Crystallography Open Database

Information card for entry 7214404

Preview

Coordinates	7214404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H27 Er N6 O6
Calculated formula	C42 H27 Er N6 O6
Title of publication	Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole
Authors of publication	Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	3883
a	15.355 ± 0.005 Å
b	6.908 ± 0.002 Å
c	32.838 ± 0.011 Å
α	90°
β	99.157 ± 0.005°
γ	90°
Cell volume	3438.8 ± 1.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1102
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180475 (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 7/21/44.	7214404.cif
109531	2014-04-16	cif/ Adding structures of 7214404, 7214405, 7214406 via cif-deposit CGI script.	7214404.cif