Information card for entry 4076695

Structure parameters

• Formula: C28 H20 B Cu F4 N2 Ru
• Calculated formula: C28 H20 B Cu F4 N2 Ru
• SMILES: [Ru]123456789%10[Cu]%11%12([n]%13c%14c(cccc%14ccc%13)[C]%131[CH]2%11[CH]3=[CH]4[CH]5=%13)[n]1c2c(cccc2ccc1)[C]16[CH]7%12[CH]8=[CH]9[CH]%10=1.[B](F)(F)(F)[F-]
• Title of publication: Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†
• Authors of publication: Enders, Markus; Kohl, Gerald; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1111
• a: 14.5536 ± 0.0007 Å
• b: 17.9434 ± 0.0009 Å
• c: 17.5653 ± 0.0009 Å
• α: 90°
• β: 99.099 ± 0.001°
• γ: 90°
• Cell volume: 4529.3 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No