Crystallography Open Database

Information card for entry 7007207

Preview

Coordinates	7007207.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Cd(18S4N2))(PF6)2
Formula	C12.5 H25.5 Cd F12 N2.5 O P2 S4
Calculated formula	C12.5 H24 Cd F12 N2.5 O P2 S4
Title of publication	Cadmium-113 NMR studies on homoleptic complexes containing thioether ligands: the crystal structures of [Cd([12]aneS4)2](ClO4)2, [Cd([18]aneS4N2)](PF6)2 and [Cd([9]aneS3)2](PF6)2.
Authors of publication	Helm, Monte L.; Hill, Lensey L.; Lee, John P.; Van Derveer, Donald G.; Grant, Gregory J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	29
Pages of publication	3534 - 3543
a	22.635 ± 0.004 Å
b	10.0366 ± 0.0017 Å
c	23.85 ± 0.004 Å
α	90°
β	111.377 ± 0.003°
γ	90°
Cell volume	5045.4 ± 1.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
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	0.0441
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7007207.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007207.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007207.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007207.cif