Information card for entry 7238631

Structure parameters

• Formula: C50 H41 As2 Cl N2 O2 Ru S
• Calculated formula: C50 H41 As2 Cl N2 O2 Ru S
• SMILES: [Ru]1([N](N=C(O1)c1ccccc1)=Cc1sccc1C)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C#[O]
• Title of publication: Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides
• Authors of publication: Prabhu, Rupesh Narayana; Ramesh, Rengan
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 4515
• a: 41.1816 ± 0.001 Å
• b: 11.3351 ± 0.0003 Å
• c: 40.5037 ± 0.0011 Å
• α: 90°
• β: 108.586 ± 0.003°
• γ: 90°
• Cell volume: 17921 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No