Crystallography Open Database

Information card for entry 1512996

Preview

Coordinates	1512996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H374 Co36 K6 O226
Calculated formula	C150 H200 Co36 K6 O226
Title of publication	Novel polynuclear architectures incorporating Co2+ and K+ ions bound by dimethylmalonate anions: Synthesis, structure, and magnetic properties
Authors of publication	Ekaterina N. Zorina; Natalya V. Zauzolkova; Aleksei A. Sidorov; Grigory G. Aleksandrov; Anatoly S. Lermontov; Mikhail A. Kiskin; Artem S. Bogomyakov; Vladimir S. Mironov; Vladimir M. Novotortsev; Igor L. Eremenko
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	396
Pages of publication	108 - 118
a	22.053 ± 0.001 Å
b	28.8254 ± 0.0014 Å
c	24.7174 ± 0.0012 Å
α	90°
β	90.0248 ± 0.0008°
γ	90°
Cell volume	15712.5 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.09
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.195
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512996.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512996.cif
91320	2013-12-12	cif/ Adding structures of 1512996 via cif-deposit CGI script.	1512996.cif