Crystallography Open Database

Information card for entry 7214406

Preview

Coordinates	7214406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Cl6 Er4 N8 O44 Zn
Calculated formula	C56 H64 Cl6 Er4 N8 O44 Zn
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	18.884 ± 0.0017 Å
b	18.884 ± 0.0017 Å
c	22.448 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8005.1 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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.	7214406.cif
109531	2014-04-16	cif/ Adding structures of 7214404, 7214405, 7214406 via cif-deposit CGI script.	7214406.cif