Information card for entry 4302897

Structure parameters

• Formula: C25 H24 N6 O2 Ru
• Calculated formula: C25 H24 N6 O2 Ru
• SMILES: [Ru]123456([n]7cccc7=C(c7n1ccc7)c1ccc(N(=O)=O)cc1)(N=N#N)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
• Title of publication: Heteroleptic Arene Ruthenium Complexes Based onmeso-Substituted Dipyrrins: Synthesis, Structure, Reactivity, and Electrochemical Studies
• Authors of publication: Mahendra Yadav; Ashish Kumar Singh; Biswajit Maiti; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7593 - 7603
• a: 9.9452 ± 0.0004 Å
• b: 9.978 ± 0.0003 Å
• c: 11.5966 ± 0.0003 Å
• α: 104.577 ± 0.002°
• β: 91.193 ± 0.003°
• γ: 92.054 ± 0.003°
• Cell volume: 1112.48 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 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 all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No