Crystallography Open Database

Information card for entry 4003032

Preview

Coordinates	4003032.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LIFM-114-Ethanol
Formula	C108 H64 O32 Zr6
Calculated formula	C108 H64 O32 Zr6
Title of publication	All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways
Authors of publication	Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	15
Pages of publication	5550
a	24.4853 ± 0.0011 Å
b	42.1654 ± 0.0014 Å
c	17.1403 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	17696.2 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1983
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220451 (current)	2019-10-29	cif/ Adding structures of 4003032 via cif-deposit CGI script.	4003032.cif