Crystallography Open Database

Information card for entry 7026534

Preview

Coordinates	7026534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.6 H63.8 Cl2 N9 Ni2 O22.3 Tb
Calculated formula	C54.6 H45 Cl2 N9 Ni2 O22.3 Tb
Title of publication	Initial employment of di-2-pyridyl ketone as a route to nickel(II)/lanthanide(III) clusters: triangular Ni(2)Ln complexes.
Authors of publication	Efthymiou, Constantinos G.; Georgopoulou, Anastasia N.; Papatriantafyllopoulou, Constantina; Terzis, Aris; Raptopoulou, Catherine P.; Escuer, Albert; Perlepes, Spyros P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8603 - 8605
a	11.998 ± 0.005 Å
b	12.117 ± 0.005 Å
c	26.99 ± 0.01 Å
α	81.4 ± 0.01°
β	89.58 ± 0.01°
γ	63.28 ± 0.01°
Cell volume	3457 ± 2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7026534.cif
93524	2014-01-13	cif/ Adding structures of 7026534, 7026535, 7026536 via cif-deposit CGI script.	7026534.cif