Crystallography Open Database

Information card for entry 4514499

Preview

Coordinates	4514499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H61 N26 O21 Zn8
Calculated formula	C111 H61 N26 O21 Zn8
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	20.5074 ± 0.0009 Å
b	29.3383 ± 0.0012 Å
c	26.3661 ± 0.0014 Å
α	90°
β	106.383 ± 0.005°
γ	90°
Cell volume	15219.1 ± 1.3 Å³
Cell temperature	99.99 ± 0.14 K
Ambient diffraction temperature	99.99 ± 0.14 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	0.2302
Residual factor for significantly intense reflections	0.1432
Weighted residual factors for significantly intense reflections	0.3601
Weighted residual factors for all reflections included in the refinement	0.4287
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4514499.cif