Information card for entry 7020014

Structure parameters

• Formula: C12 H10 Cl3 N3 O8 Ru2
• Calculated formula: C12 H10 Cl3 N3 O8 Ru2
• SMILES: [Ru]1(Cl)(O[N]([Ru](Cl)(Cl)(C#[O])(C#[O])C#[O])=Cc2[n]1c[nH]c2)(C#[O])(C#[O])C#[O].OCC
• Title of publication: Ruthenium imidazole oxime carbonyls and their activities as CO-releasing molecules.
• Authors of publication: Oresmaa, Larisa; Tarvainen, Heli; Machal, Kalle; Haukka, Matti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11170 - 11175
• a: 8.6104 ± 0.0004 Å
• b: 10.8098 ± 0.0005 Å
• c: 12.1232 ± 0.0006 Å
• α: 84.991 ± 0.002°
• β: 86.171 ± 0.004°
• γ: 69.282 ± 0.003°
• Cell volume: 1050.61 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No