Crystallography Open Database

Information card for entry 4303552

Preview

Coordinates	4303552.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nicotinic acid tetraethylene glycol Copper Iodide Cluster
Formula	C64 H32 Cu8 I8 N8 O24
Calculated formula	C64 H32 Cu8 I8 N8 O24
Title of publication	Multitopic Ligand Design: A Concept for Single-Source Precursors
Authors of publication	Fabienne Gschwind; Olha Sereda; Katharina M. Fromm
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10535 - 10547
a	12.308 ± 0.003 Å
b	37.403 ± 0.008 Å
c	12.509 ± 0.003 Å
α	90°
β	97.57 ± 0.03°
γ	90°
Cell volume	5708 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.218
Residual factor for significantly intense reflections	0.1162
Weighted residual factors for significantly intense reflections	0.2722
Weighted residual factors for all reflections included in the refinement	0.323
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179073 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/35.	4303552.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303552.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303552.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303552.cif