Crystallography Open Database

Information card for entry 7135762

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Coordinates	7135762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H176 N6 O37 S4 V12
Calculated formula	C76 H176 N6 O37 S4 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	20.0162 ± 0.0001 Å
b	20.0162 ± 0.0001 Å
c	56.3966 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	22595.2 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2221
Weighted residual factors for all reflections included in the refinement	0.2316
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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