Information card for entry 4063506

Structure parameters

• Formula: C12 H7 B F4 O3 Ru
• Calculated formula: C12 H7 B F4 O3 Ru
• SMILES: [B](F)(F)(F)[F-].C(#[O])[Ru]1234(C#[O])(C#[O])[cH]5[cH]4[c]43[c]2([cH]15)cccc4
• Title of publication: Chemical, Electrochemical, and Theoretical Investigations of [(Cp)Ru(CO)3]+and [(Ind)Ru(CO)3]+
• Authors of publication: Badger, Robert C.; D'Acchioli, Jason S.; Gamoke, Benjamin C.; Kim, Sang Bok; Oudenhoven, Tracey A.; Sweigart, Dwight A.; Tanke, Robin S.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 418 - 424
• a: 8.6715 ± 0.0002 Å
• b: 10.7016 ± 0.0002 Å
• c: 14.3849 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.9 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for all reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9904
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No