Crystallography Open Database

Information card for entry 4334079

Preview

Coordinates	4334079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 N2 O18 S2 U2
Calculated formula	C28 H38 N2 O18 S2 U2
Title of publication	Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies
Authors of publication	Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2736 - 2743
a	9.2047 ± 0.0007 Å
b	13.1351 ± 0.0009 Å
c	16.0557 ± 0.0011 Å
α	84.29 ± 0.001°
β	83.18 ± 0.001°
γ	86.828 ± 0.001°
Cell volume	1916 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0759
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334079.cif
99889	2014-02-03	cif/ Adding structures of 4334079 via cif-deposit CGI script.	4334079.cif