Information card for entry 7009729

Structure parameters

• Formula: C13 H15 B2 F8 N O2 Ru
• Calculated formula: C13 H15 B2 F8 N O2 Ru
• SMILES: [Ru]123456789%10([cH]%11[cH]1[cH]2[cH]3[cH]4[cH]5%11)[cH]1[cH]6[cH]7[cH]8[cH]9[cH]%101.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].CN(=O)=O
• Title of publication: Making and converting organometallic pseudo-polymorphs via non-solution methods †
• Authors of publication: Braga, Dario; Cojazzi, Gianna; Abati, Alexander; Maini, Lucia; Polito, Marco; Scaccianoce, Laura; Grepioni, Fabrizia
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3969
• a: 18.184 ± 0.004 Å
• b: 11.865 ± 0.003 Å
• c: 18.251 ± 0.004 Å
• α: 90°
• β: 117.118 ± 0.005°
• γ: 90°
• Cell volume: 3504.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No