Crystallography Open Database

Information card for entry 7249068

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Coordinates	7249068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H205 Co16 N O66
Calculated formula	C102 H205 Co16 N O66
Title of publication	Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core
Authors of publication	Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	32
Pages of publication	4264 - 4271
a	19.4844 ± 0.0005 Å
b	19.797 ± 0.0006 Å
c	20.2908 ± 0.001 Å
α	90°
β	93.527 ± 0.003°
γ	90°
Cell volume	7812 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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