Information card for entry 1548662

Structure parameters

• Formula: C20 H24 B5 Hf2
• Calculated formula: C20 H24 B5 Hf2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Hf]16789%102345([cH]2[cH]8[cH]7[cH]6[cH]12)[B]12([B]3(B91)[BH2][Hf]1456789%1123([cH]2[cH]6[cH]5[cH]4[cH]12)[cH]1[cH]7[cH]8[cH]9[cH]%111)[BH2]%10
• Title of publication: [(Cp₂M)₂B₉H₁₁] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.
• Authors of publication: De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1976 - 1981
• a: 9.3061 ± 0.0008 Å
• b: 7.8838 ± 0.0007 Å
• c: 14.9171 ± 0.0012 Å
• α: 90°
• β: 100.72 ± 0.002°
• γ: 90°
• Cell volume: 1075.33 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No