Information card for entry 4341133

Structure parameters

• Formula: C32.5 H24.5 Cl2.5 N4 O6 Os
• Calculated formula: C32.5 H24.5 Cl2.5 N4 O6 Os
• SMILES: [Os]123(Oc4c(cccc4)c4c(O1)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].ClC(Cl)Cl
• Title of publication: Revelation of Varying Coordination Modes and Noninnocence of Deprotonated 2,2'-Bipyridine-3,3'-diol in {Os(bpy)2} Frameworks.
• Authors of publication: Ghosh, Prabir; Ray, Ritwika; Das, Ankita; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10695 - 10707
• a: 12.791 ± 0.005 Å
• b: 12.816 ± 0.005 Å
• c: 20.033 ± 0.007 Å
• α: 98.293 ± 0.003°
• β: 98.983 ± 0.004°
• γ: 107.565 ± 0.003°
• Cell volume: 3028 ± 2 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: 0.0765
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No