Crystallography Open Database

Information card for entry 7209520

7209519 << 7209520 >> 7209521

Preview

Coordinates	7209520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl3 I3 N5 O8 U
Calculated formula	C15 H15 Cl3 I3 N5 O8 U
SMILES	[U]1(Cl)(Cl)(Cl)(=O)(ON(=O)=[O]1)=O.Ic1cc[nH+]cc1.Ic1cc[nH+]cc1.Ic1cc[nH+]cc1.O=N(=O)[O-]
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	7.9797 ± 0.0005 Å
b	25.0428 ± 0.0017 Å
c	14.7303 ± 0.001 Å
α	90°
β	103.019 ± 0.002°
γ	90°
Cell volume	2868 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
181910 (current)	2016-04-06	cif/7 Fixing Z values and formulae	7209520.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7209520.cif
86010	2013-05-09	cif/ Adding structures of 7209518, 7209519, 7209520 via cif-deposit CGI script.	7209520.cif