Crystallography Open Database

Information card for entry 7006823

Preview

Coordinates	7006823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C165 H149 Li N12 O10 P6 S12 Ti2
Calculated formula	C165 H147 Li N12 O10 P6 S12 Ti2
Title of publication	A dinuclear triple-stranded helicate with a bis(benzene-o-dithiolato) ligand.
Authors of publication	Hahn, F. Ekkehardt; Kreickmann, Thorsten; Pape, Tania
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	6
Pages of publication	769 - 771
a	17.8522 ± 0.0004 Å
b	23.0986 ± 0.0005 Å
c	37.9215 ± 0.0009 Å
α	90°
β	99.417 ± 0.002°
γ	90°
Cell volume	15426.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0786
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179772 (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 7/00/68.	7006823.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006823.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006823.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006823.cif