Information card for entry 7212915

Structure parameters

• Common name: (eta$5!-1-methylcyclopentadienyl)-(eta$2!,eta$2!- cyclohexadiene)-iridium(i)
• Chemical name: (η^5^-1-methylcyclopentadienyl)-(η^2^,η^2^-cyclohexadiene)-iridium(i)
• Formula: C12 H15 Ir
• Calculated formula: C12 H15 Ir
• SMILES: [Ir]1234567([c]8([cH]1[cH]2[cH]3[cH]48)C)[CH]1CC[CH]5=[CH]7[CH]6=1
• Title of publication: (MeCp)Ir(CHD) and molecular oxygen as precursors in atomic layer deposition of iridium
• Authors of publication: Hämäläinen, Jani; Hatanpää, Timo; Puukilainen, Esa; Costelle, Leila; Pilvi, Tero; Ritala, Mikko; Leskelä, Markku
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 36
• Pages of publication: 7669
• a: 5.831 ± 0.0012 Å
• b: 27.153 ± 0.005 Å
• c: 8.015 ± 0.003 Å
• α: 90°
• β: 128.627 ± 0.019°
• γ: 90°
• Cell volume: 991.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No