Information card for entry 7206910

Structure parameters

• Formula: C8 H7 Cl O2 Ru
• Calculated formula: C8 H7 Cl O2 Ru
• SMILES: [Ru]1234(C#[O])(C#[O])(Cl)[c]5([cH]4[cH]3[cH]2[cH]15)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: 8.4488 ± 0.0013 Å
• b: 9.9193 ± 0.0015 Å
• c: 11.619 ± 0.002 Å
• α: 90°
• β: 107.559 ± 0.002°
• γ: 90°
• Cell volume: 928.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0208
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No