Crystallography Open Database

Information card for entry 4308921

Preview

Coordinates	4308921.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetrakis((4-tertbutyl-pyridine)-iodide-copper(i))
Formula	C36 H52 Cu4 I4 N4
Calculated formula	C36 H34 Cu4 I4 N4
Title of publication	New Structural Motifs, Unusual Quenching of the Emission, and Second Harmonic Generation of Copper(I) Iodide Polymeric or Oligomeric Adducts with Para-Substituted Pyridines or trans-Stilbazoles
Authors of publication	Elena Cariati; Dominique Roberto; Renato Ugo; Peter C. Ford; Simona Galli; Angelo Sironi
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4077 - 4085
a	23.341 ± 0.011 Å
b	20.409 ± 0.009 Å
c	19.177 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	9135 ± 7 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308921.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308921.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308921.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4308921.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308921.cif