Information card for entry 4081109

Structure parameters

• Formula: C24 H56 B10 Hf N4
• Calculated formula: C24 H56 B10 Hf N4
• SMILES: [BH]1234[BH]567[BH]892[BH]2%101[BH]1%118[BH]8%12%10[C]%10%1332[Hf]23([N](C(C)C)=C(N2C(C)C)CCCC)([C]247%13[BH]48%10[BH]752[BH]1%124[BH]69%117)[N](C(C)C)=C(N3C(C)C)CCCC
• Title of publication: Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules
• Authors of publication: Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4292
• a: 17.815 ± 0.004 Å
• b: 11.853 ± 0.002 Å
• c: 16.961 ± 0.003 Å
• α: 90°
• β: 103.71 ± 0.003°
• γ: 90°
• Cell volume: 3479.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No