Crystallography Open Database

Information card for entry 4340613

Preview

Coordinates	4340613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H107 Cl0.38 F0.63 O7 U
Calculated formula	C79 H107 Cl0.379 F0.621 O7 U
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	41.727 ± 0.005 Å
b	15.8843 ± 0.0018 Å
c	24.408 ± 0.003 Å
α	90°
β	124.355 ± 0.002°
γ	90°
Cell volume	13356 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4340613.cif
122897	2014-09-06	cif/ Updating files of 4340613, 4340614, 4340615, 4340616, 4340617 Original log message: Adding full bibliography for 4340613--4340617.cif.	4340613.cif
121062	2014-08-02	cif/ Adding structures of 4340613, 4340614, 4340615, 4340616, 4340617 via cif-deposit CGI script.	4340613.cif