Information card for entry 4116855

Structure parameters

• Formula: C78 H134 F2 Na4 P2 Si4
• Calculated formula: C78 H134 F2 Na4 P2 Si4
• SMILES: [Na]1[F]([Si]([P][Si](C(C)C)(C(C)C)C(C)C)(c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)([Na][F]1([Na])[Si]([P][Si](C(C)C)(C(C)C)C(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[Na]
• Title of publication: Intriguing Tetrasodium Dication Cluster Na42+ Stabilized between Two Silyl(fluorosilyl)phosphanide Shells
• Authors of publication: Matthias Driess; Hans Pritzkow; Markus Skipinski; Uwe Winkler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 10774 - 10775
• a: 10.919 ± 0.006 Å
• b: 26.14 ± 0.014 Å
• c: 15.057 ± 0.008 Å
• α: 90°
• β: 102.78 ± 0.04°
• γ: 90°
• Cell volume: 4191 ± 4 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• 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: 0.1368
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No