Information card for entry 7030945

Structure parameters

• Formula: C24 H65 N4 Na Si3 Zn
• Calculated formula: C24 H65 N4 Na Si3 Zn
• SMILES: C([Zn](C[Si](C)(C)C)C[Si](C)(C)C)[Si](C)(C)C.[N]1(C)(C)CC[N](C)(C)[Na]21[N](C)(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: 16.989 ± 0.0006 Å
• b: 11.2669 ± 0.0003 Å
• c: 19.2447 ± 0.0006 Å
• α: 90°
• β: 90.577 ± 0.003°
• γ: 90°
• Cell volume: 3683.5 ± 0.2 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: 0.0694
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No