Information card for entry 7020013

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]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: 6.9755 ± 0.0004 Å
• b: 7.5555 ± 0.0003 Å
• c: 13.8032 ± 0.0008 Å
• α: 80.139 ± 0.003°
• β: 86.396 ± 0.002°
• γ: 65.436 ± 0.003°
• Cell volume: 651.83 ± 0.06 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: 0.0382
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No