Crystallography Open Database

Information card for entry 4335429

Preview

Coordinates	4335429.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CH2Cl2@[Au4(tppepb)4]I4
Formula	C548 H409 Au8 Cl8 I8 O4 P24
Calculated formula	C548 H409 Au8 Cl8 I8 O4 P24
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	22.379 ± 0.0006 Å
b	24.1427 ± 0.0009 Å
c	27.514 ± 0.0008 Å
α	88.522 ± 0.002°
β	68.882 ± 0.001°
γ	64.583 ± 0.002°
Cell volume	12377.6 ± 0.7 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	0.0817
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4335429.cif
101358	2014-02-13	cif/ Adding structures of 4335429 via cif-deposit CGI script.	4335429.cif