Crystallography Open Database

Information card for entry 4334076

Preview

Coordinates	4334076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H32 N6 O20 P4 U3
Calculated formula	C39 H32 N6 O20 P4 U3
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	9.7096 ± 0.0012 Å
b	10.6095 ± 0.0014 Å
c	14.018 ± 0.003 Å
α	101.815 ± 0.003°
β	93.434 ± 0.003°
γ	117.157 ± 0.002°
Cell volume	1238 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4334076.cif
99886	2014-02-03	cif/ Adding structures of 4334076 via cif-deposit CGI script.	4334076.cif