Information card for entry 4327740

Structure parameters

• Formula: C35 H42 Cl N3 Ru
• Calculated formula: C35 H42 Cl N3 Ru
• SMILES: [Ru]123456(Cl)([N](=C(N1c1c(cc(cc1)C)C)Nc1ccc(cc1C)C)c1ccc(cc1C)C)[c]1([cH]3[cH]4[c]6(C(C)C)[cH]2[cH]51)C
• 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: 14.4275 ± 0.0013 Å
• b: 14.3557 ± 0.0013 Å
• c: 30.288 ± 0.003 Å
• α: 90°
• β: 90.809 ± 0.007°
• γ: 90°
• Cell volume: 6272.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No