Information card for entry 7102491

Structure parameters

• Formula: C62 H51 Cl0 Cu3 Mo12 N11 O42 P
• Calculated formula: C62 H51 Cu3 Mo12 N11 O42 P
• Title of publication: A host-guest complex between a metal-organic cyclotriveratrylene analog and a polyoxometalate: [Cu6(4,7-phenanthroline)8(MeCN)4]2PM12O40(M = Mo or W).
• Authors of publication: Knaust, Jacqueline M; Inman, Chad; Keller, Steven W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 492 - 493
• a: 13.0253 ± 0.0017 Å
• b: 16.002 ± 0.002 Å
• c: 21.112 ± 0.003 Å
• α: 79.799 ± 0.002°
• β: 87.654 ± 0.002°
• γ: 72.576 ± 0.002°
• Cell volume: 4131.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No