Crystallography Open Database

Information card for entry 1563505

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Coordinates	1563505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H84 Co2 Li2 N2 O12
Calculated formula	C42 H84 Co2 Li2 N2 O12
Title of publication	Synthesis, structure, solid-state thermolysis, and thermodynamic properties of new heterometallic complex Li2Co2(Piv)6(NEt3)2
Authors of publication	Dobrohotova, Zn.V.; Sidorov, A.A.; Kiskin, M.A.; Aleksandrov, G.G.; Gavrichev, K.S.; Tyurin, A.V.; Emelina, A.L.; Bykov, M.A.; Bogomyakov, A.S.; Malkerova, I.P.; Alihanian, A.S.; Novotortsev, V.M.; Eremenko, I.L.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	10
Pages of publication	2475 - 2482
a	11.9667 ± 0.0005 Å
b	12.7779 ± 0.0006 Å
c	20.4113 ± 0.0012 Å
α	103.422 ± 0.001°
β	94.102 ± 0.001°
γ	117.804 ± 0.001°
Cell volume	2626 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.1924
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
266476 (current)	2021-06-15	cif/ Adding structures of 1563505 via cif-deposit CGI script.	1563505.cif