Information card for entry 7020012

Structure parameters

• Formula: C9 H10 Cl N3 O5 Ru
• Calculated formula: C9 H10 Cl N3 O5 Ru
• SMILES: [Ru]1(Cl)([N](O)=Cc2[n]1cc[nH]2)(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: 6.8943 ± 0.0003 Å
• b: 7.7902 ± 0.0004 Å
• c: 13.9622 ± 0.0009 Å
• α: 74.761 ± 0.005°
• β: 89.253 ± 0.005°
• γ: 63.954 ± 0.004°
• Cell volume: 645.49 ± 0.07 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: 0.0362
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No