Information card for entry 7029673

Structure parameters

• Formula: C45 H36 As Cl N3 O P Ru S
• Calculated formula: C45 H36 As Cl N3 O P Ru S
• SMILES: [Ru]12([As](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)(SC(=N[N]2=Cc2ccccc2[P]1(c1ccccc1)c1ccccc1)Nc1ccccc1)C#[O]
• Title of publication: Efficient and versatile catalysis of N-alkylation of heterocyclic amines with alcohols and one-pot synthesis of 2-aryl substituted benzazoles with newly designed ruthenium(ii) complexes of PNS thiosemicarbazones.
• Authors of publication: Ramachandran, Rangasamy; Prakash, Govindan; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan Grzegorz; Ramkumar, Venkatachalam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7889 - 7902
• a: 10.2991 ± 0.0008 Å
• b: 13.1254 ± 0.0011 Å
• c: 15.2952 ± 0.0013 Å
• α: 97.686 ± 0.007°
• β: 94.38 ± 0.007°
• γ: 96.521 ± 0.007°
• Cell volume: 2026.9 ± 0.3 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No