Information card for entry 4109741

Structure parameters

• Formula: C29 H46 Ga Mo N Si3
• Calculated formula: C29 H46 Ga Mo N Si3
• SMILES: [Mo]123456789%10([c]%11([Ga]%12([N](C)(C)[Si](C%12([Si](C)(C)C)[Si](C)(C)C)(C)C)c%12ccccc%12)[cH]1[cH]2[cH]3[cH]4[cH]5%11)[cH]1[cH]%10[cH]9[cH]8[cH]7[cH]61
• 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: 9.2936 ± 0.0005 Å
• b: 9.7991 ± 0.0005 Å
• c: 17.2637 ± 0.001 Å
• α: 90.071 ± 0.004°
• β: 102.786 ± 0.003°
• γ: 92.141 ± 0.004°
• Cell volume: 1532.06 ± 0.15 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: 0.1053
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No