Information card for entry 4327738

Structure parameters

• Formula: C32 H36 Cl N3 O3 Ru
• Calculated formula: C32 H36 Cl N3 O3 Ru
• SMILES: [Ru]123456(Cl)([cH]7[cH]5[c]1(C)[cH]6[cH]2[c]47C(C)C)[N](c1ccccc1OC)=C(Nc1c(OC)cccc1)N3c1c(OC)cccc1
• 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: 18.565 ± 0.002 Å
• b: 8.3952 ± 0.0011 Å
• c: 19.908 ± 0.002 Å
• α: 90°
• β: 109.837 ± 0.005°
• γ: 90°
• Cell volume: 2918.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No