Information card for entry 7030942

Structure parameters

• Formula: C12 H33 Na Si3 Zn
• Calculated formula: C12 H33 Na Si3 Zn
• SMILES: C([Zn](C([Si](C)(C)C))C[Si](C)(C)C)[Si](C)(C)C.[Na+]
• 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: 9.9657 ± 0.0002 Å
• b: 24.5335 ± 0.0004 Å
• c: 16.5399 ± 0.0003 Å
• α: 90°
• β: 90.708 ± 0.002°
• γ: 90°
• Cell volume: 4043.59 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No