Information card for entry 7206906

Structure parameters

• Formula: C7 H5 Cl O2 Ru
• Calculated formula: C7 H5 Cl O2 Ru
• SMILES: [Ru]1234(Cl)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 6.6793 ± 0.001 Å
• b: 10.676 ± 0.002 Å
• c: 12.15 ± 0.002 Å
• α: 90°
• β: 99.859 ± 0.003°
• γ: 90°
• Cell volume: 853.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No