Crystallography Open Database

Information card for entry 7716987

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Coordinates	7716987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H99 Cu12 N2 O114 P V2 W10
Calculated formula	C80 H82.5024 Cu12 N2 O114 P V2.0004 W9.9996
Title of publication	Encapsulation of the Vanadium Substituted Keggin Polyoxometalates [α-PVW11O40]4- and [α-PV2W10O40]5- in HKUST-1
Authors of publication	Orozco, Jose C.; Shuaib, Damola Taye; Swenson, LaSalle; Chen, Ying-Pin; Chen, Yu-Sheng; Khan, M. Ishaque Ishaque
Journal of publication	Dalton Transactions
Year of publication	2024
a	26.2682 ± 0.0012 Å
b	26.2682 ± 0.0012 Å
c	26.2682 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	18125.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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