Crystallography Open Database

Information card for entry 7011866

Preview

Coordinates	7011866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H219 Cu15 O6 P6 S18 Se12
Calculated formula	C204 H211 Cu15 O6 P6 S18 Se12
Title of publication	New copper selenium clusters with a sulfur functionalised ligand shell
Authors of publication	Fuhr, Olaf; Meredith, Anthony; Fenske, Dieter
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	22
Pages of publication	4091
a	18.588 ± 0.004 Å
b	19.035 ± 0.004 Å
c	32.454 ± 0.007 Å
α	100.03 ± 0.03°
β	92.57 ± 0.03°
γ	109.88 ± 0.03°
Cell volume	10566 ± 5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0968
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.226
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011866.cif
179822	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/18.	7011866.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011866.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011866.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011866.cif