Crystallography Open Database

Information card for entry 8104987

Preview

Coordinates	8104987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 N O10 U
Calculated formula	C16 H11 N O10 U
Title of publication	The crystal structure of catena-poly[(1-(4-carboxybenzyl)pyridin-1-ium-4-carboxylato-κ1O)-(μ2-oxalato-κ4 O:O′:O″:O‴)dioxidouranium(VI)], C16H11NO10U
Authors of publication	Meng, Yuning; Xie, Ziyu; Lan, Qiaofa; Niu, Fei; Zhang, Xiaolin; Yang, Youming; Cai, Bin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	1
Pages of publication	153 - 155
a	16.4675 ± 0.0012 Å
b	11.7192 ± 0.0008 Å
c	9.6663 ± 0.0007 Å
α	90°
β	100.823 ± 0.002°
γ	90°
Cell volume	1832.3 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274200 (current)	2022-04-01	cif/ Adding structures of 8104987 via cif-deposit CGI script.	8104987.cif