Crystallography Open Database

Information card for entry 7026536

Preview

Coordinates	7026536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109.2 H129.6 Cl2 N23 Ni4 O52.6 Y3
Calculated formula	C109.2 H104 Cl2 N23 Ni4 O52.6 Y3
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	12.0779 ± 0.0005 Å
b	22.1582 ± 0.0005 Å
c	53.202 ± 0.002 Å
α	90°
β	94.067 ± 0.001°
γ	90°
Cell volume	14202.3 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
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.	7026536.cif
93524	2014-01-13	cif/ Adding structures of 7026534, 7026535, 7026536 via cif-deposit CGI script.	7026536.cif