Crystallography Open Database

Information card for entry 7007205

Preview

Coordinates	7007205.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Cd(12S4)2)(ClO4)2
Formula	C18 H38 Cd Cl2 N2 O12 S8
Calculated formula	C18 H38 Cd Cl2 N2 O11.98 S8
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	21.323 ± 0.003 Å
b	8.4702 ± 0.0013 Å
c	21.334 ± 0.003 Å
α	90°
β	114.441 ± 0.002°
γ	90°
Cell volume	3507.8 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0699
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179776 (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 7/00/72.	7007205.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007205.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007205.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7007205.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007205.cif