Information card for entry 7019479

Structure parameters

• Formula: C19 H20 Cl5 N5 O5 Ru
• Calculated formula: C19 H20 Cl5 N5 O5 Ru
• SMILES: [Ru]12(Cl)(Cl)(N=O)[n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1ncccc1.ClCCl.Cl(=O)(=O)(=O)[O-]
• 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: 9.7546 ± 0.0001 Å
• b: 13.7776 ± 0.0002 Å
• c: 9.9353 ± 0.0007 Å
• α: 90°
• β: 110.935 ± 0.008°
• γ: 90°
• Cell volume: 1247.11 ± 0.11 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No