Information card for entry 4109742

Structure parameters

• Formula: C24 H20 Mo Si
• Calculated formula: C24 H20 Mo Si
• SMILES: [Mo]123456789%10%11[c]%12([Si]([c]%136[cH]7[cH]8[cH]9[cH]%10[cH]%11%13)(c6ccccc6)c6ccccc6)[cH]1[cH]2[cH]3[cH]4[cH]5%12
• 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: 7.879 ± 0.0005 Å
• b: 18.5687 ± 0.0013 Å
• c: 14.5051 ± 0.0009 Å
• α: 90°
• β: 120.59 ± 0.004°
• γ: 90°
• Cell volume: 1826.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No