Crystallography Open Database

Information card for entry 4347764

Preview

Coordinates	4347764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H61 N4 O20.5 Si2 U2
Calculated formula	C78 H57 N4 O20.5 Si2 U2
Title of publication	Entangled Uranyl Organic Frameworks with (10,3)-b Topology and Polythreading Network: Structure, Luminescence, and Computational Investigation.
Authors of publication	Liu, Chao; Gao, Chao-Ying; Yang, Weiting; Chen, Fang-Yuan; Pan, Qing-Jiang; Li, Jiyang; Sun, Zhong-Ming
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5540 - 5548
a	10.4237 ± 0.0013 Å
b	14.7281 ± 0.0017 Å
c	25.599 ± 0.003 Å
α	81.665 ± 0.002°
β	82.26 ± 0.003°
γ	71.667 ± 0.003°
Cell volume	3674.5 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232491 (current)	2019-11-23	cif/ Adding structures of 4347764, 4347765 via cif-deposit CGI script.	4347764.cif