Crystallography Open Database

Information card for entry 4335131

Preview

Coordinates	4335131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 As24 O99 U10
Calculated formula	C120 As24 O99 U10
SMILES	[U]1234(=O)(O[As](=O)(O)O[U]567([O]=[As](O[U]89%10([O]=[As]%11(O[U]%12%13%14([O]=[As]%15(O[As]%16(=[O][U]%17%18%19(=O)([O]=[As]%20(O[U]%21([O]=[As](O%20)(O[U]%20%22([O]=[As](O%21)(O[As](O%20)(=[O]3)c3ccccc3)c3ccccc3)([O]=[As](O1)(O[As](=[O][U]1([O]=[As](O[As](O1)(=[O]4)c1ccccc1)(O8)c1ccccc1)(=O)([O]=[As](O9)(O%11)c1ccccc1)(=O)O[As](=O)(O[U]1([O]=[As](O1)(O%22)c1ccccc1)(O[As](=O)(O%18)c1ccccc1)(O[As](=O)(O)O%13)(=O)=O)O)(O2)c1ccccc1)c1ccccc1)(=O)=O)c1ccccc1)(O[As](O5)(=O)O)(=O)([O]=[As](O%19)(O[As](O%17)(=[O][U](=O)(O%15)(O%16)([O]=[As](O[As](=[O]%10)(O%12)c1ccccc1)(O%14)c1ccccc1)(=O)O[As](=O)(O6)c1ccccc1)c1ccccc1)c1ccccc1)=O)c1ccccc1)=O)c1ccccc1)c1ccccc1)(=O)=O)c1ccccc1)(=O)=O)(O7)c1ccccc1)(=O)=O)=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	18.446 ± 0.003 Å
b	32.29 ± 0.005 Å
c	35.952 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	21414 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
179454 (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 4/33/51.	4335131.cif
101036	2014-02-10	cif/ Adding structures of 4335131 via cif-deposit CGI script.	4335131.cif