Crystallography Open Database

Information card for entry 4340614

Preview

Coordinates	4340614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H75 F O3 U
Calculated formula	C63 H75 F O3 U
SMILES	[U]12345678(Oc9c(C[c]5%10[c]6([c]7([c]4([c]8([c]3%10C)Cc3c(O1)c(cc(c3)C)C13CC4CC(CC(C1)C4)C3)C)Cc1c(O2)c(cc(c1)C)C12CC3CC(CC(C1)C3)C2)C)cc(cc9C12CC3CC(CC(C1)C3)C2)C)F
Title of publication	Uranium(IV) Halide (F(-), Cl(-), Br(-), and I(-)) Monoarene Complexes.
Authors of publication	Halter, Dominik P.; La Pierre, Henry S.; Heinemann, Frank W.; Meyer, Karsten
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8418 - 8424
a	11.6837 ± 0.001 Å
b	16.2568 ± 0.0014 Å
c	26.19 ± 0.002 Å
α	89.898 ± 0.002°
β	87.804 ± 0.002°
γ	88.879 ± 0.002°
Cell volume	4969.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340614.cif
122897	2014-09-06	cif/ Updating files of 4340613, 4340614, 4340615, 4340616, 4340617 Original log message: Adding full bibliography for 4340613--4340617.cif.	4340614.cif
121062	2014-08-02	cif/ Adding structures of 4340613, 4340614, 4340615, 4340616, 4340617 via cif-deposit CGI script.	4340614.cif