Crystallography Open Database

Information card for entry 7120221

7120220 << 7120221 >> 7120222

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Coordinates	7120221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 B N14 O51 W12
Calculated formula	C46 H36 B N14 O51 W12
Title of publication	A dielectric anomaly observed for doubly reduced mixed-valence polyoxometalate
Authors of publication	Nakamura, Ippei; Tsunashima, Ryo; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki
Journal of publication	Chem. Commun.
Year of publication	2017
a	12.0275 ± 0.0004 Å
b	12.9977 ± 0.0004 Å
c	14.4568 ± 0.0005 Å
α	114.819 ± 0.0003°
β	106.153 ± 0.0003°
γ	95.9987 ± 0.0004°
Cell volume	1905.78 ± 0.11 Å³
Cell temperature	117 K
Ambient diffraction temperature	117 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.2362
Weighted residual factors for all reflections included in the refinement	0.2378
Goodness-of-fit parameter for all reflections included in the refinement	2.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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