Crystallography Open Database

Information card for entry 4334077

Preview

Coordinates	4334077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 N8 O16 P4 U2 Zn2
Calculated formula	C60 H52 N8 O16 P4 U2 Zn2
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	10.4332 ± 0.0006 Å
b	16.2774 ± 0.001 Å
c	20.186 ± 0.0012 Å
α	71.321 ± 0.001°
β	82.427 ± 0.001°
γ	79.93 ± 0.001°
Cell volume	3186.9 ± 0.3 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	0.0662
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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.	4334077.cif
99887	2014-02-03	cif/ Adding structures of 4334077 via cif-deposit CGI script.	4334077.cif