Crystallography Open Database

Information card for entry 4335433

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Structure parameters

Common name	[Au2(2,6-dppeb)3]I2
Formula	C102 H75 Au2 Cl3 I2 N3 P6
Calculated formula	C102 H75 Au2 Cl3 I2 N3 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	13.3154 ± 0.0009 Å
b	13.3154 ± 0.0009 Å
c	38.938 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5978.8 ± 0.7 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	0.0866
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2364
Weighted residual factors for all reflections included in the refinement	0.239
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	4335433.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.	4335433.cif
101362	2014-02-13	cif/ Adding structures of 4335433 via cif-deposit CGI script.	4335433.cif