Information card for entry 2003754

Structure parameters

• Chemical name: exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane
• Formula: C12 H26 B3 Cl Ru
• Calculated formula: C12 H26 B3 Cl Ru
• SMILES: [Ru]12345678(Cl)([c]9([c]1([c]2([c]3([c]4(C59C)C)C)C)C)C)[BH]12([BH]36([BH2]1([H]2)[H]3)[H]8)[H]7
• Title of publication: <i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)
• Authors of publication: Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1503 - 1505
• a: 13.401 ± 0.002 Å
• b: 13.5794 ± 0.001 Å
• c: 8.695 ± 0.001 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1582.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No