Crystallography Open Database

Information card for entry 7008883

Preview

Coordinates	7008883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N10 Ni2 O5
Calculated formula	C22 H18 N10 Ni2 O5
Title of publication	Structural analysis and magnetic properties of the dicubane-like tetramer [Ni(dpk·OH)(N3)]4·2H2O (dpk = di-2-pyridyl ketone) †
Authors of publication	Serna, Zurine E.; Barandika, M. Gotzone; Cortés, Roberto; Urtiaga, M. Karmele; Barberis, Gaston E.; Rojo, Teófilo
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	1
Pages of publication	29
a	10.23 ± 0.003 Å
b	10.358 ± 0.004 Å
c	13.396 ± 0.008 Å
α	91.57 ± 0.04°
β	105.53 ± 0.05°
γ	96.26 ± 0.03°
Cell volume	1357.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1611
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.262
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.7107 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.	7008883.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008883.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008883.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008883.cif