Crystallography Open Database

Information card for entry 4307762

Preview

Coordinates	4307762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.5 H56.4 N9 Ni5 O21.7
Calculated formula	C48.5 H47 N9 Ni5 O21.7
Title of publication	Acetate/Di-2-pyridyl Ketone Oximate "Blend" as a Source of High-Nuclearity Nickel(II) Clusters: Dependence of the Nuclearity on the Nature of the Inorganic Anion Present
Authors of publication	Theocharis C. Stamatatos; Eleanna Diamantopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Spyros P. Perlepes
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2350 - 2352
a	16.8789 ± 0.0015 Å
b	25.14 ± 0.002 Å
c	18.2298 ± 0.0016 Å
α	90°
β	113.63 ± 0.003°
γ	90°
Cell volume	7086.9 ± 1.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2438
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4307762.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307762.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307762.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307762.cif