Information card for entry 4346227

Structure parameters

• Formula: C58 H46 Cl2 N12 O10 Os2
• Calculated formula: C58 H46 Cl2 N12 O10 Os2
• SMILES: [Os]123(Oc4c5c6c(N[Os]78(Oc6c6c4cccc6)([n]4ccccc4c4[n]7cccc4)[n]4c(c6[n]8cccc6)cccc4)ccc5N1)([n]1c(cccc1)c1[n]3cccc1)[n]1ccccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Varying Electronic Structures of Diosmium Complexes from Noninnocently Behaving Anthraquinone-Derived Bis-chelate Ligands.
• Authors of publication: Mandal, Abhishek; Grupp, Anita; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 7936 - 7944
• a: 13.639 ± 0.004 Å
• b: 13.862 ± 0.004 Å
• c: 17.859 ± 0.005 Å
• α: 100.196 ± 0.003°
• β: 110.811 ± 0.002°
• γ: 98.421 ± 0.003°
• Cell volume: 3024.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No