Crystallography Open Database





Information card for 7205747

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Coordinates

7205747.cif

Structure parameters

Formula - C40 H167 N30 Ni4 O101 P V36 -
Calculated formula - C40 H137 N30 Ni4 O101 P V36 -
Title of publication {[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation
Authors of publication Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You
Journal of publication CrystEngComm
Year of publication 2011
Journal volume 13
Journal issue 7
Pages of publication 2191
a 18.9721 ± 0.0007 Å
b 18.9721 ± 0.0007 Å
c 20.2105 ± 0.0013 Å
α 90°
β 90°
γ 90°
Cell volume 7274.6 ± 0.6 Å3
Cell temperature 296 ± 2 K
Ambient diffraction temperature 296 ± 2 K
Number of distinct elements 7
Hermann-Mauguin symmetry space group P 4/n :2
Hall symmetry space group -P 4a
Residual factor for all reflections 0.0962
Residual factor for observed reflections 0.0694
Weighted residual factors for the observed reflections 0.2159
Weighted residual factors for all reflections included in the refinement 0.2342
Goodness-of-fit parameter for observed reflections 1.053
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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