Crystallography Open Database

Information card for entry 7007790

Preview

Coordinates	7007790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H80 As4 Cu4 P4 S4
Calculated formula	C48 H80 As4 Cu4 P4 S4
Title of publication	Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions.
Authors of publication	Langer, Robert; Shi, Weifeng; Rothenberger, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	37
Pages of publication	4435 - 4437
a	11.8503 ± 0.0009 Å
b	12.4641 ± 0.0009 Å
c	12.6238 ± 0.001 Å
α	63.637 ± 0.006°
β	64.437 ± 0.006°
γ	77.138 ± 0.006°
Cell volume	1506 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179781 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/77.	7007790.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007790.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007790.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007790.cif