Information card for entry 7004681

Structure parameters

• Formula: C8 H15 Cr F6 N6 O11 Ru S2
• Calculated formula: C8 H15 Cr F6 N6 O11 Ru S2
• SMILES: [Ru]([N]#C[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([NH3])([NH3])([NH3])([NH3])[NH3].O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F
• Title of publication: Solvent dependence of the g-anisotropy in the ESR of cyanide-bridged mixed-valence complexes
• Authors of publication: Laidlaw, William Michael; Denning, Robert Gordon; Murphy, Damien Martin; Green, Jennifer C.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6257 - 6264
• a: 13.1853 ± 0.0002 Å
• b: 11.6464 ± 0.0002 Å
• c: 16.6937 ± 0.0003 Å
• α: 90°
• β: 112.039 ± 0.0008°
• γ: 90°
• Cell volume: 2376.18 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 8
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No