Information card for entry 4116808

Structure parameters

• Chemical name: (Me5CpW)3B8H9
• Formula: C30 H54 B8 W3
• Calculated formula: C30 H54 B8 W3
• SMILES: [BH]123[BH]45[BH]678[W]9%10%11%12%13%14%1514([c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[BH]142[BH]29[BH]%10%11[BH]%126([BH]7%13[W]67%13%16%1512%10%12([c]1([c]6([c]7([c]%13([c]%161C)C)C)C)C)[H]%14)[W]126735849%11[c]3([c]2([c]6([c]7([c]13C)C)C)C)C
• Title of publication: Synthesis and Structure of the Metallaborane Cp*3(μ-H)W3B8H8 from the Thermolysis of Cp*H3WB4H8 (Cp* = η5-C5Me5). A Close-Packed 11-Atom Boron-Rich Cluster
• Authors of publication: Andrew S. Weller; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 8283 - 8284
• a: 17.8507 ± 0.0013 Å
• b: 14.1146 ± 0.0012 Å
• c: 13.7229 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3457.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.0929
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No