Information card for entry 7011475

Structure parameters

• Formula: C14 H15 N3 O7 Ru
• Calculated formula: C14 H15 N3 O7 Ru
• SMILES: [Ru]12(OC)(OC(=O)c3[n]1cccc3)(OC(=O)c1[n]2cccc1)N=O.OC
• Title of publication: Cis‒trans isomerization of {RuNO}6-type nitrosylruthenium complexes containing 2-pyridinecarboxylate and structural characterization of a µ-H3O2 bridged dinuclear nitrosylruthenium complex
• Authors of publication: Hirano, Toshiyuki; Kuroda, Mai; Takeda, Naoko; Hayashi, Mitsunori; Mukaida, Masao; Oi, Takao; Nagao, Hirotaka
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2158
• a: 8.12 ± 0.001 Å
• b: 15.082 ± 0.003 Å
• c: 7.009 ± 0.001 Å
• α: 91.963 ± 0.007°
• β: 103.913 ± 0.006°
• γ: 97.687 ± 0.01°
• Cell volume: 823.7 ± 0.2 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.444
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No