Crystallography Open Database

Information card for entry 7008827

Preview

Coordinates	7008827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H30 Cl2 N10 O Zn
Calculated formula	C35 H30 Cl2 N10 O Zn
SMILES	[Zn]12([n]3c(cccc3)c3[n]1c(cc(c3)c1ccc(cc1)COCC(n1nccc1)(n1nccc1)n1nccc1)c1[n]2cccc1)(Cl)Cl.N#CC
Title of publication	Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.
Authors of publication	Zibaseresht, Ramin; Hartshorn, Richard M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	24
Pages of publication	3898 - 3908
a	8.3507 ± 0.0015 Å
b	11.1461 ± 0.0015 Å
c	18.124 ± 0.003 Å
α	86.826 ± 0.003°
β	82.396 ± 0.002°
γ	85.48 ± 0.002°
Cell volume	1665.2 ± 0.5 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
179792 (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 7/00/88.	7008827.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008827.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008827.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008827.cif