Crystallography Open Database

Information card for entry 7135761

Preview

Coordinates	7135761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H148 N8 O32 V12
Calculated formula	C66 H148 N8 O32 V12
Title of publication	Supramolecular catalysis by an inside of a bowl-type dodecavanadate for cyanamide dimerization
Authors of publication	Firdausiah, Syadza; Iwai, Hiroya; Kikukawa, Yuji
Journal of publication	Chemical Communications
Year of publication	2026
a	20.5157 ± 0.0004 Å
b	20.6039 ± 0.0004 Å
c	25.6521 ± 0.0005 Å
α	90°
β	95.965 ± 0.002°
γ	90°
Cell volume	10784.5 ± 0.4 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	5
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	0.13
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2686
Weighted residual factors for all reflections included in the refinement	0.3149
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7135761.html