Information card for entry 7019477

Structure parameters

• Formula: C20 H26 N6 O6 Ru
• Calculated formula: C20 H26 N6 O6 Ru
• SMILES: [Ru]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)(N(=O)=O)N(=O)=O.CO.CO
• Title of publication: Synthesis, spectroscopic analysis and photolabilization of water-soluble ruthenium(iii)-nitrosyl complexes.
• Authors of publication: Merkle, Anna C.; McQuarters, Ashley B.; Lehnert, Nicolai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8047 - 8059
• a: 19.347 ± 0.007 Å
• b: 14.704 ± 0.005 Å
• c: 16.562 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4712 ± 3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1684
• 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