Crystallography Open Database

Information card for entry 7209518

7209517 << 7209518 >> 7209519

Preview

Coordinates	7209518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cl5 N3 O5 U
Calculated formula	C10 H10 Cl5 N3 O5 U
SMILES	[U]1(Cl)(Cl)(=O)(=O)ON(=[O]1)=O.[Cl-].Clc1cc[nH+]cc1.Clc1cc[nH+]cc1
Title of publication	Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability
Authors of publication	Andrews, Michael B.; Cahill, Christopher L.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	16
Pages of publication	3082
a	6.819 ± 0.005 Å
b	10.781 ± 0.005 Å
c	14.252 ± 0.005 Å
α	72.89 ± 0.005°
β	80.394 ± 0.005°
γ	74.456 ± 0.005°
Cell volume	960.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180426 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95.	7209518.cif
86010	2013-05-09	cif/ Adding structures of 7209518, 7209519, 7209520 via cif-deposit CGI script.	7209518.cif