Crystallography Open Database

Information card for entry 1576094

Preview

Coordinates	1576094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al14.9 Cl0.4 H101.4 Mo11.4 O124.3
Calculated formula	Al14.9 Cl0.4 H37.4 Mo11.4 O92.3
Title of publication	Isomeric effects of Al<sub>13</sub> Keggin clusters as catalyst support on oxidation reactions.
Authors of publication	Tateno, Atsunobu; Zhou, Wei; Gao, Ailing; Weng, Zhewei; Ogiwara, Naoki; Uchida, Sayaka
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	43
Pages of publication	25010 - 25014
a	14.3281 ± 0.0004 Å
b	14.4893 ± 0.0004 Å
c	26.9716 ± 0.0006 Å
α	82.003 ± 0.002°
β	75.767 ± 0.002°
γ	69.21 ± 0.003°
Cell volume	5065.8 ± 0.3 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1957
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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