Crystallography Open Database

Information card for entry 4335426

Preview

Coordinates	4335426.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CH2Cl2@[Cu4(tppepb)4]I4
Formula	C267 H186 Cl6 Cu4 I4 P12
Calculated formula	C267 H186 Cl6 Cu4 I4 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	34.8818 ± 0.0015 Å
b	49.512 ± 0.002 Å
c	19.2091 ± 0.0009 Å
α	90°
β	114.534 ± 0.002°
γ	90°
Cell volume	30180 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.2002
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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.	4335426.cif
101355	2014-02-13	cif/ Adding structures of 4335426 via cif-deposit CGI script.	4335426.cif