Information card for entry 4116100

Structure parameters

• Formula: C76 H110 Al14 Cl Si
• Calculated formula: C76 H110.12 Al14 Cl Si
• Title of publication: Synthesis and Structure of a Neutral SiAl14 Cluster
• Authors of publication: Andreas Purath; Carsten Dohmeier; Achim Ecker; Ralf Köppe; Harald Krautscheid; Hansgeorg Schnöckel; Reinhart Ahlrichs; Carsten Stoermer; Jochen Friedrich; Peter Jutzi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 6955 - 6959
• a: 13.43 ± 0.003 Å
• b: 18.333 ± 0.004 Å
• c: 17.118 ± 0.003 Å
• α: 90°
• β: 94.86 ± 0.03°
• γ: 90°
• Cell volume: 4199.5 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.1721
• Weighted residual factors for significantly intense reflections: 0.156
• Goodness-of-fit parameter for all reflections: 0.985
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa=20
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No