Information card for entry 1519136

Structure parameters

• Formula: C39 H38 B F15 Hf Si2
• Calculated formula: C39 H38 B F15 Hf Si2
• SMILES: [Hf]123456789([c]%10([cH]1[cH]2[c]3([Si](C)(C)C)[cH]4%10)[Si](C)(C)C)([cH]1[cH]5[cH]6[cH]7[c]9([cH]81)C)(C)C.Fc1c([B](C)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F
• Title of publication: C13H27HfSi2, C19H3BF15, C7H8
• Authors of publication: Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1200
• a: 11.289 ± 0.007 Å
• b: 12.891 ± 0.008 Å
• c: 14.531 ± 0.008 Å
• α: 95.06 ± 0.04°
• β: 95.64 ± 0.05°
• γ: 105.5 ± 0.03°
• Cell volume: 2013 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No