Information card for entry 7017958

Structure parameters

• Common name: Cp*Ir(mu-NtBu)TiCp2
• Formula: C24 H34 Ir N Ti
• Calculated formula: C24 H34 Ir N Ti
• SMILES: [Ir]12345([Ti]6789%10%11%12%13(N1C(C)(C)C)([cH]1[cH]6[cH]7[cH]8[cH]91)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[c]1(C)[c]2([c]3(C)[c]4(C)[c]51C)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: 10.309 ± 0.005 Å
• b: 15.143 ± 0.007 Å
• c: 14.512 ± 0.007 Å
• α: 90°
• β: 96.715 ± 0.007°
• γ: 90°
• Cell volume: 2249.9 ± 1.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No