Crystallography Open Database

Information card for entry 7245241

Preview

Coordinates	7245241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H122 Nb6 O34
Calculated formula	C58 H122 Nb6 O34
Title of publication	Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker
Authors of publication	Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry
Journal of publication	CrystEngComm
Year of publication	2022
a	24.0297 ± 0.0014 Å
b	18.1938 ± 0.0011 Å
c	19.0238 ± 0.0011 Å
α	90°
β	97.312 ± 0.003°
γ	90°
Cell volume	8249.4 ± 0.8 Å³
Cell temperature	106.73 K
Ambient diffraction temperature	106.73 K
Number of distinct elements	4
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	0.075
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7245241.html