Crystallography Open Database

Information card for entry 4310558

Preview

Coordinates	4310558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 I3 Lu O4
Calculated formula	C12 H32 I3 Lu O4
SMILES	C(C)(C)[OH][Lu](I)([OH]C(C)C)(I)([OH]C(C)C)[OH]C(C)C.[I-]
Title of publication	Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding
Authors of publication	Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1065 - 1070
a	12.565 ± 0.004 Å
b	12.565 ± 0.004 Å
c	32.192 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	5082 ± 3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.567
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
179144 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/05.	4310558.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310558.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310558.cif
2046	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310558 via cif-deposit CGI script.	4310558.cif