Crystallography Open Database

Information card for entry 4335432

Preview

Structure parameters

Common name	[Cu2(2,6-dppeb)3]I2
Formula	C201 H144 Cl6 Cu4 I4 N6 P12
Calculated formula	C201 H144 Cl6 Cu4 I4 N6 P12
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	13.1976 ± 0.0003 Å
b	13.1976 ± 0.0003 Å
c	38.5008 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5807.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2424
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4335432.cif
179457	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.	4335432.cif
101361	2014-02-13	cif/ Adding structures of 4335432 via cif-deposit CGI script.	4335432.cif