Crystallography Open Database

Information card for entry 7117201

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Coordinates	7117201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H109 Cr Mo6 N6 O29
Calculated formula	C45 H108.4 Cr Mo6 N6 O28.7
Title of publication	Unprecedented chi isomers of single-side triol-functionalized Anderson polyoxometalates and their proton-controlled isomer transformation
Authors of publication	Jiangwei Zhang; Zhenhua Liu; Yichao Huang; Jin zhang; Jian Hao; Yongge Wei
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9097
a	13.554 ± 0.0014 Å
b	13.7899 ± 0.001 Å
c	21.0955 ± 0.0018 Å
α	86.768 ± 0.007°
β	88.944 ± 0.008°
γ	63.016 ± 0.009°
Cell volume	3508 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0442
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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