Crystallography Open Database





Information card for 1100737

1100736 << 1100737 >> 1100738

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Coordinates

1100737.cif

Structure parameters

Formula - Cl2 H46 K2 Na2 Nd0.5 O81 P2 W17 -
Calculated formula - Cl2 K2 Na2 Nd0.5 O81 P2 W17 -
Title of publication Influence of Steric and Electronic Properties of the Defect Site, Lanthanide Ionic Radii, and Solution Conditions on the Composition of Lanthanide(III) α1-P2W17O6110-Polyoxometalates
Authors of publication Cheng Zhang; Robertha C. Howell; Qun-Hui Luo; Heidi L. Fieselmann; Louis J. Todaro; Lynn C. Francesconi
Journal of publication Inorganic Chemistry
Year of publication 2005
Journal volume 44
Pages of publication 3569 - 3578
a 41.072 ± 0.008 Å
b 16.152 ± 0.003 Å
c 24.933 ± 0.005 Å
α 90°
β 104.63 ± 0.03°
γ 90°
Cell volume 16004 ± 6 Å3
Cell temperature 100 ± 2 K
Ambient diffraction temperature 100 ± 2 K
Number of distinct elements 8
Hermann-Mauguin symmetry space group C 1 2/c 1
Hall symmetry space group -C 2yc
Residual factor for all reflections 0.1846
Residual factor for observed reflections 0.1221
Weighted residual factors for the observed reflections 0.2982
Weighted residual factors for all reflections included in the refinement 0.3469
Goodness-of-fit parameter for observed reflections 1.044
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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