Crystallography Open Database

Information card for entry 7716397

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Coordinates	7716397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H108 B6 Cd2 N6 O104 P12 V12
Calculated formula	C12 H54 B6 Cd2 N6 O104 P12 V12
Title of publication	New types of open-framework vanadium borophosphates with photocatalytic properties
Authors of publication	Wang, Yiyao; Liu, Xing; Zhou, Jian; Zou, Hua-Hong
Journal of publication	Dalton Transactions
Year of publication	2024
a	16.6535 ± 0.0014 Å
b	19.849 ± 0.0016 Å
c	17.057 ± 0.0015 Å
α	90°
β	105.772 ± 0.003°
γ	90°
Cell volume	5426 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0864
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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