Information card for entry 7206908

Structure parameters

• Formula: C12 H15 Cl O2 Ru
• Calculated formula: C12 H15 Cl O2 Ru
• 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: 6.7919 ± 0.0008 Å
• b: 7.8225 ± 0.001 Å
• c: 12.819 ± 0.002 Å
• α: 84.5 ± 0.003°
• β: 87.327 ± 0.003°
• γ: 72.547 ± 0.003°
• Cell volume: 646.61 ± 0.15 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: 0.0394
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No