Information card for entry 7102866

Structure parameters

• Formula: C114 H110 N18 O41 W12 Zn
• Calculated formula: C114 H108 N18 O41 W12 Zn
• Title of publication: Facile assembly of hybrid materials containing polyoxometalate cluster anions and organic dye cations: crystal structures and initial spectral characterization.
• Authors of publication: Xie, Jingli; Abrahams, Brendan F; Wedd, Anthony G
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 576 - 578
• a: 29.4039 ± 0.0016 Å
• b: 29.4039 ± 0.0016 Å
• c: 12.6458 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9468.6 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.527
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No