Information card for entry 7020010

Structure parameters

• Formula: C8 H8 Cl N3 O5 Ru
• Calculated formula: C8 H8 Cl N3 O5 Ru
• SMILES: [Ru]1(Cl)([N](O)=Cc2[n]1cc[nH]2)(C#[O])(C#[O])C(=O)OC
• 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: 6.3371 ± 0.0004 Å
• b: 7.9665 ± 0.0005 Å
• c: 11.7247 ± 0.0007 Å
• α: 96.6 ± 0.004°
• β: 90.728 ± 0.004°
• γ: 93.281 ± 0.003°
• Cell volume: 586.92 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No