Information card for entry 4109740

Structure parameters

• Formula: C53 H88 Al2 Mo2 N2 Si6
• Calculated formula: C53 H88 Al2 Mo2 N2 Si6
• Title of publication: [1]Molybdarenophanes: Strained Metallarenophanes with Aluminum, Gallium, and Silicon in Bridging Positions
• Authors of publication: Clinton L. Lund; Jörg A. Schachner; J. Wilson Quail; Jens Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9313 - 9320
• a: 9.005 ± 0.0004 Å
• b: 9.793 ± 0.0005 Å
• c: 17.0803 ± 0.0008 Å
• α: 98.873 ± 0.003°
• β: 97.435 ± 0.002°
• γ: 96.174 ± 0.003°
• Cell volume: 1463.15 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No