Crystallography Open Database

Information card for entry 4335132

Preview

Coordinates	4335132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 As31 O121 U12
Calculated formula	C180 As31 O121 U12
SMILES	c1(ccccc1)[As]12=[O][U]345(=O)(O[As]6(=[O][U]789(O[As](=[O][U]%10%11%12(=O)(O[As](c%13ccccc%13)(=[O][U]%13%14%15([O]=[As](c%16ccccc%16)(O%11)O[As](c%11ccccc%11)(=[O][U]%11%16%17(O[As](c%18ccccc%18)(O[U]%18([O]=[As](c%19ccccc%19)(O4)O2)(=O)(=O)(O[As](c2ccccc2)(O[U]24(O[As]%19(c%20ccccc%20)=[O][U]%20%21%22(=O)([O]=[As](c%23ccccc%23)(O[As](c%23ccccc%23)(O%20)=[O][U]%20%23(=O)([O]=[As]%24(c%25ccccc%25)O[U](O[As](c%25ccccc%25)(=O)O[U]%25%26(=O)([O]=[As]%27(O[U](O1)([O]=[As](c1ccccc1)(O3)O%27)(O[As](c1ccccc1)(O%19)=[O]4)(=O)(=O)[O]=[As](c1ccccc1)(O[As](c1ccccc1)(O%21)=[O]%26)O%25)c1ccccc1)(=O)O[As](c1ccccc1)(O8)=O)([O]=[As](c1ccccc1)(O[As](c1ccccc1)(=[O]%23)O%22)O%20)([O]=[As](c1ccccc1)(O%13)O%24)(O[As](c1ccccc1)(O9)=O)(=O)=O)(=O)[O]=[As](c1ccccc1)(O[As](c1ccccc1)(=[O]%15)O%16)O%17)O2)=O)(O[As](c1ccccc1)(=O)O%11)(=O)=O)=O)[O]=[As](c1ccccc1)(O5)O[As](c1ccccc1)(O%10)=[O]%18)=O)(=O)=O)O%14)(=O)=O)O[As](=[O]7)(c1ccccc1)O%12)=O)(c1ccccc1)O6)(=O)=O)c1ccccc1)=O.O.O.O.O.O.O.O.[As]([O-])([O-])([O-])([O-])([O-])[O-].O.O.O.O.O.O
Title of publication	Hybrid Uranyl Arsonate Coordination Nanocages
Authors of publication	Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6245 - 6247
a	31.365 ± 0.003 Å
b	30.63 ± 0.003 Å
c	28.328 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	27215 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2843
Residual factor for significantly intense reflections	0.1105
Weighted residual factors for significantly intense reflections	0.2845
Weighted residual factors for all reflections included in the refinement	0.3716
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335132.cif
101037	2014-02-10	cif/ Adding structures of 4335132 via cif-deposit CGI script.	4335132.cif