Information card for entry 4109739

Structure parameters

• Formula: C29 H46 Ga Mo N Si3
• Calculated formula: C29 H46 Ga Mo N Si3
• SMILES: [Mo]123456789%10%11[c]%12([Ga]%13([N](C)(C)[Si](C%13([Si](C)(C)C)[Si](C)(C)C)(C)C)[c]%136[cH]7[cH]8[cH]9[cH]%10[cH]%11%13)[cH]1[cH]2[cH]3[cH]4[cH]5%12.c1ccccc1
• 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: 9.2069 ± 0.0003 Å
• b: 13.3959 ± 0.0004 Å
• c: 13.5754 ± 0.0003 Å
• α: 110.073 ± 0.002°
• β: 90.698 ± 0.002°
• γ: 96.944 ± 0.002°
• Cell volume: 1558.49 ± 0.08 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: 0.0655
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No