Information card for entry 4327742

Structure parameters

• Formula: C32 H36 N6 O3 Ru
• Calculated formula: C32 H36 N6 O3 Ru
• SMILES: [Ru]123456([N](=C(Nc7c(OC)cccc7)N1c1ccccc1OC)c1ccccc1OC)([cH]1[c]5([cH]3[cH]6[c]4([cH]21)C(C)C)C)N=N#N
• Title of publication: Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N"-Triarylguanidinate Complexes
• Authors of publication: Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 157 - 169
• a: 9.1199 ± 0.0002 Å
• b: 17.675 ± 0.0006 Å
• c: 18.9166 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3049.25 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No