Crystallography Open Database

Information card for entry 4514497

Preview

Coordinates	4514497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H69 N26 O19 Zn8
Calculated formula	C111 H69.0012 N26 O19.0006 Zn8.0006
Title of publication	Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.
Authors of publication	Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	42
Pages of publication	38503 - 38509
a	24.0332 ± 0.0005 Å
b	23.8074 ± 0.0005 Å
c	34.8396 ± 0.0008 Å
α	90°
β	97.346 ± 0.002°
γ	90°
Cell volume	19770.5 ± 0.7 Å³
Cell temperature	100 ± 0.15 K
Ambient diffraction temperature	100 ± 0.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0864
Weighted residual factors for significantly intense reflections	0.2396
Weighted residual factors for all reflections included in the refinement	0.2626
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219685 (current)	2019-10-28	cif/ Adding structures of 4514497, 4514498, 4514499 via cif-deposit CGI script.	4514497.cif