Information card for entry 7017959

Structure parameters

• Common name: Cp*Ir(mu-NtBu)HfCp2
• Formula: C24 H34 Hf Ir N
• Calculated formula: C24 H34 Hf Ir N
• SMILES: [Ir]12345([Hf]6789%10%11%12%13(N1C(C)(C)C)([cH]1[cH]9[cH]8[cH]7[cH]61)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Preparation and physical properties of early-late heterobimetallic compounds featuring Ir-M bonds (M = Ti, Zr, Hf).
• Authors of publication: Curley, John J.; Bergman, Robert G.; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 192 - 200
• a: 14.594 ± 0.003 Å
• b: 15.259 ± 0.003 Å
• c: 10.423 ± 0.002 Å
• α: 90°
• β: 96.64 ± 0.03°
• γ: 90°
• Cell volume: 2305.5 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No