Crystallography Open Database

Information card for entry 4334080

Preview

Coordinates	4334080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N8 O14 S U2
Calculated formula	C32 H23 N8 O13.233 S 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	13.6408 ± 0.0009 Å
b	20.8488 ± 0.0013 Å
c	13.914 ± 0.0008 Å
α	90°
β	115.99 ± 0.001°
γ	90°
Cell volume	3556.9 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	4334080.cif
99890	2014-02-03	cif/ Adding structures of 4334080 via cif-deposit CGI script.	4334080.cif