Information card for entry 4086446

Structure parameters

• Formula: C52 H106 Ga2 O4 Si8
• Calculated formula: C52 H106 Ga2 O4 Si8
• SMILES: C([Ga]1(C([Si](C)(C)C)[Si](C)(C)C)OC(=[O]1)c1ccc2c(c1)ccc(C1=[O][Ga](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)O1)c2)([Si](C)(C)C)[Si](C)(C)C.C1(C)CCCC1.C1(C)CCCC1
• Title of publication: Gallium‒Gallium Bonds as Key Building Blocks for the Formation of Large Organometallic Macrocycles, on the Way to a Mesoporous Molecule
• Authors of publication: Uhl, Werner; Fick, Anna-Christina; Spies, Thomas; Geiseler, Gertraud; Harms, Klaus
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 72 - 75
• a: 9.6188 ± 0.0008 Å
• b: 17.8307 ± 0.0009 Å
• c: 20.3154 ± 0.0013 Å
• α: 90°
• β: 98.378 ± 0.009°
• γ: 90°
• Cell volume: 3447.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No