Crystallography Open Database

Information card for entry 4335435

Preview

Coordinates	4335435.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Cu2(1,5-dppen)3]I2}n
Formula	C63 H53 Cu I N2 O2 P3
Calculated formula	C63 H53 Cu I N2 O2 P3
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	12.8162 ± 0.0002 Å
b	13.0129 ± 0.0002 Å
c	17.0064 ± 0.0003 Å
α	85.633 ± 0.001°
β	77.257 ± 0.001°
γ	80.861 ± 0.001°
Cell volume	2728.79 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4335435.cif
101364	2014-02-13	cif/ Adding structures of 4335435 via cif-deposit CGI script.	4335435.cif