Crystallography Open Database

Information card for entry 7011863

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Coordinates	7011863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C234 H211 Cu38 O13 P4 S4 Se28
Calculated formula	C233.5 H206 Cu38 O13 P4 S4 Se28
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	19.687 ± 0.004 Å
b	37.1 ± 0.007 Å
c	39.73 ± 0.008 Å
α	90°
β	100.81 ± 0.03°
γ	90°
Cell volume	28503 ± 10 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1957
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011863.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.	7011863.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011863.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011863.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011863.cif