Crystallography Open Database

Information card for entry 4003039

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Coordinates	4003039.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LIFM-114-Ether
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	20.557 ± 0.002 Å
b	42.7525 ± 0.0017 Å
c	17.8758 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	15710.4 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.1492
Residual factor for significantly intense reflections	0.1298
Weighted residual factors for significantly intense reflections	0.3497
Weighted residual factors for all reflections included in the refinement	0.3751
Goodness-of-fit parameter for all reflections included in the refinement	1.545
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
220458 (current)	2019-10-29	cif/ Adding structures of 4003039 via cif-deposit CGI script.	4003039.cif