Information card for entry 7206912

Structure parameters

• Formula: C8 H7 I O2 Ru
• Calculated formula: C8 H7 I O2 Ru
• SMILES: [Ru]1234(C#[O])(C#[O])(I)[c]5([cH]1[cH]2[cH]3[cH]45)C
• Title of publication: Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow
• Authors of publication: Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 812
• a: 6.9642 ± 0.0013 Å
• b: 7.4745 ± 0.0014 Å
• c: 10.068 ± 0.002 Å
• α: 92.968 ± 0.003°
• β: 95.936 ± 0.003°
• γ: 108.783 ± 0.003°
• Cell volume: 491.49 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No