Information card for entry 7003735

Structure parameters

• Formula: C20 H33 Cl N6 O13 Ru
• Calculated formula: C20 H32 Cl N6 O13 Ru
• SMILES: [Ru]123([N]4C(C)(C)COC=4C(=O)N1C(C)(C)CO2)([N]1C(C)(C)COC=1C1OCC(C)(C)[N]3=1)N=O.N(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Use of HNO3 as the source of NO to prepare a nitric oxide complex of ruthenium
• Authors of publication: Drew, Michael G. B.; Nag, Samik; Datta, Dipankar
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2298 - 2302
• a: 13.867 ± 0.017 Å
• b: 14.526 ± 0.017 Å
• c: 28.52 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5745 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.2667
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No