Information card for entry 1513207

Structure parameters

• Formula: C47 H45 N2 O6 Os P
• Calculated formula: C47 H45 N2 O6 Os P
• SMILES: c1(ccccc1)[P]([Os]123([N](C[C@H]4O[C@@H]5OC(O[C@@H]5[C@H]4[NH]1Cc1ccccc1O3)(C)C)=Cc1ccccc1O2)C#[O])(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Ruthenium and osmium complexes of novel carbohydrate derived salen ligands: Synthesis, characterization and in situ ligand reduction
• Authors of publication: Soumik Mandal; Santanu Mandal; Dipravath K. Seth; Balaram Mukhopadhyay; Parna Gupta
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 83 - 88
• a: 13.595 ± 0.006 Å
• b: 16.977 ± 0.007 Å
• c: 19.141 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4418 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No