Information card for entry 7030944

Structure parameters

• Formula: C21 H56 Li N3 Si3 Zn
• Calculated formula: C21 H56 Li N3 Si3 Zn
• SMILES: [Zn](C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.[Li]12[N](C)(C)CC[N]1(C)CC[N]2(C)C
• Title of publication: New supramolecular assemblies in heterobimetallic chemistry: synthesis of a homologous series of unsolvated alkali-metal zincates.
• Authors of publication: Armstrong, David R.; Emerson, Helena S.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Hevia, Eva
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14229 - 14238
• a: 16.1037 ± 0.0004 Å
• b: 10.6433 ± 0.0002 Å
• c: 18.4366 ± 0.0004 Å
• α: 90°
• β: 91.39 ± 0.002°
• γ: 90°
• Cell volume: 3159.04 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No