Crystallography Open Database

Information card for entry 4335431

Preview

Coordinates	4335431.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(1,3-dppeb)3]I2
Formula	C106 H82 Cu2 I2 O P6
Calculated formula	C106 H82 Cu2 I2 O P6
Title of publication	Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates
Authors of publication	Sang Ho Lim; Seth M. Cohen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7862 - 7872
a	13.346 ± 0.0004 Å
b	18.3255 ± 0.0005 Å
c	37.2999 ± 0.0011 Å
α	90°
β	95.949 ± 0.002°
γ	90°
Cell volume	9073.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335431.cif
101360	2014-02-13	cif/ Adding structures of 4335431 via cif-deposit CGI script.	4335431.cif