Information card for entry 4327739

Structure parameters

• Formula: C32 H36 Cl N3 Ru
• Calculated formula: C32 H36 Cl N3 Ru
• SMILES: [Ru]123456(Cl)([N](=C(Nc7ccccc7C)N1c1c(cccc1)C)c1c(cccc1)C)[cH]1[cH]5[c]4([cH]3[cH]6[c]21C(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: 10.355 ± 0.005 Å
• b: 8.834 ± 0.005 Å
• c: 15.1 ± 0.005 Å
• α: 90°
• β: 94.342 ± 0.005°
• γ: 90°
• Cell volume: 1377.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No