Information card for entry 7106407

Structure parameters

• Formula: C29 H20 B F10 Hf N
• Calculated formula: C29 H20 B F10 Hf N
• SMILES: [Hf]123456789(N[B](c%10c(F)c(F)c(F)c(F)c%10F)(c%10c(F)c(F)c(F)c(F)c%10F)[H]9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51.c1cc(C)ccc1
• Title of publication: The hafnium-mediated NH activation of an amido-borane
• Authors of publication: Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5870
• a: 6.707 ± 0.005 Å
• b: 15.957 ± 0.005 Å
• c: 25.116 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2688 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No