Crystallography Open Database

Information card for entry 4310559

Preview

Coordinates	4310559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 I2 Lu N5 O
Calculated formula	C28 H32 I2 Lu N5 O
SMILES	O([Lu](I)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)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	16.993 ± 0.009 Å
b	13.044 ± 0.007 Å
c	14.664 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	3250 ± 3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.876
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.	4310559.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310559.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310559.cif
2047	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310559 via cif-deposit CGI script.	4310559.cif