Crystallography Open Database

Information card for entry 4508833

Preview

Coordinates	4508833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 O18 U3
Calculated formula	C30 H48 O18 U3
Title of publication	Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties
Authors of publication	Borkowski, Lauren A.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2241
a	9.4982 ± 0.0012 Å
b	14.0112 ± 0.0019 Å
c	15.3757 ± 0.0019 Å
α	94.875 ± 0.003°
β	101.27 ± 0.003°
γ	94.909 ± 0.003°
Cell volume	1988.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1422
Residual factor for significantly intense reflections	0.0957
Weighted residual factors for significantly intense reflections	0.2419
Weighted residual factors for all reflections included in the refinement	0.2524
Goodness-of-fit parameter for all reflections included in the refinement	1.781
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
179624 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/88.	4508833.cif
96961	2014-01-29	cif/ Adding structures of 4508830, 4508831, 4508832, 4508833 via cif-deposit CGI script.	4508833.cif