Information card for entry 7040440

Structure parameters

• Formula: C23 H30 N4 O14 Ru3
• Calculated formula: C23 H30 N4 O14 Ru3
• SMILES: C(#[O])[Ru]1234[O]=C(C)O[Ru]56([n]7ccc(cc7)N)([O]1[Ru]([n]1ccc(cc1)N)([O]=C(C)O2)(OC(C)=[O]4)([O]=C(C)O5)OC(C)=[O]6)[O]=C(C)O3
• Title of publication: Revisiting oxo-centered carbonyl-triruthenium clusters: investigating CO photorelease and some spectroscopic and electrochemical correlations.
• Authors of publication: Moreira, Mariete B.; Da Silva, Camila F. N.; Pesci, Rafaela B. P.; Deflon, Victor M.; Nikolaou, Sofia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16799 - 16809
• a: 19.2404 ± 0.0004 Å
• b: 19.8237 ± 0.0004 Å
• c: 8.2389 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3142.45 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No