Information card for entry 2003376

Structure parameters

• Chemical name: Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate
• Formula: C18 H24 B2 F8 Ru
• Calculated formula: C18 H24 B2 F8 Ru
• SMILES: [B](F)(F)(F)[F-].[cH]12[c]3(C)[Ru]456789%10%111([cH]([c]25C)[c]6([cH]34)C)[cH]1[c]9([cH]8[c]%11([cH]7[c]%101C)C)C.[B](F)(F)(F)[F-]
• Title of publication: The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K
• Authors of publication: Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 582 - 584
• a: 12.636 ± 0.003 Å
• b: 12.636 ± 0.003 Å
• c: 12.636 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2017.6 ± 0.8 ų
• Cell temperature: 153 ± 0.2 K
• Ambient diffraction temperature: 153 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.182
• Weighted residual factors for significantly intense reflections: 0.1102
• Goodness-of-fit parameter for all reflections: 1.171
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No