Information card for entry 4327737

Structure parameters

• Formula: C32 H36 Cl N3 Ru
• Calculated formula: C32 H36 Cl N3 Ru
• SMILES: [Ru]123456(Cl)([N](c7ccc(cc7)C)=C(Nc2ccc(cc2)C)N1c1ccc(cc1)C)[c]1([cH]3[cH]6[c]4([cH]5[cH]21)C)C(C)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: 15.844 ± 0.005 Å
• b: 9.534 ± 0.005 Å
• c: 19.696 ± 0.005 Å
• α: 90°
• β: 103.756 ± 0.005°
• γ: 90°
• Cell volume: 2889.9 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No