Information card for entry 7104616

Structure parameters

• Formula: C80 H200 Ga4 Li4 N8 O12 Si16
• Calculated formula: C80 H200 Ga4 Li4 N8 O12 Si16
• SMILES: [Li]123([O]4[O]3[Ga]4(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[O]3(=N45CCN(CC4)CC5)[Li]45([O]6[O]5[Ga]6(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[O]1(=N15CCN(CC1)CC5)[Li]15([O]6[O]5[Ga]6(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[O]2(=N25CCN(CC2)CC5)[Li]32([O]3[O]2[Ga]3(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[O]14
• Title of publication: A heterocyclic organogallium peroxide with two dialkylgallium groups bridged by a peroxide dianion.
• Authors of publication: Uhl, Werner; Halvagar, Mohammad Reza; Layh, Marcus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 28
• Pages of publication: 4269 - 4271
• a: 20.0565 ± 0.0003 Å
• b: 20.0565 ± 0.0003 Å
• c: 15.0869 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6068.9 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No