Crystallography Open Database

Information card for entry 4334081

Preview

Coordinates	4334081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H32 N6 O19 S2 U2 Zn
Calculated formula	C52 H30 N6 O18.843 S2 U2 Zn
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	12.8625 ± 0.0012 Å
b	13.1683 ± 0.0013 Å
c	17.2155 ± 0.0017 Å
α	72.216 ± 0.002°
β	71.658 ± 0.002°
γ	71.066 ± 0.001°
Cell volume	2550 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4334081.cif
99891	2014-02-03	cif/ Adding structures of 4334081 via cif-deposit CGI script.	4334081.cif