Information card for entry 4311230

Structure parameters

• Common name: [(bpb)Ru(NO)(Cl)]
• Formula: C18 H12 Cl N5 O3 Ru
• Calculated formula: C18 H12 Cl N5 O3 Ru
• SMILES: [Ru]123(Cl)(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)N=O
• Title of publication: Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release
• Authors of publication: Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4487 - 4495
• a: 10.2153 ± 0.0006 Å
• b: 12.3643 ± 0.0007 Å
• c: 13.8577 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.3 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No