Crystallography Open Database

Information card for entry 7044065

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Coordinates	7044065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H295 Mo36 N16 O121 S4
Calculated formula	C132 H295 Mo36 N16 O120.981 S4
Title of publication	Inter-cluster Distance Dependence of Electrical Properties in Single Crystals of a Mixed-valence Polyoxometalate
Authors of publication	Tsunashima, Ryo; Nakamura, Ippei; Oue, Rika; Koga, Seiya; Oki, Hirofumi; Nakamura, Takayoshi; Noro, Shin-ichiro; Akutagawa, Tomoyuki
Journal of publication	Dalton Trans.
Year of publication	2017
a	16.5259 ± 0.0004 Å
b	22.0689 ± 0.0005 Å
c	33.5552 ± 0.001 Å
α	90 ± 0.0004°
β	98.0671 ± 0.0004°
γ	90 ± 0.0004°
Cell volume	12116.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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