Information card for entry 7040950

Structure parameters

• Formula: C35 H25 Cl N6 O6 Os
• Calculated formula: C35 H25 Cl N6 O6 Os
• SMILES: [Os]123(Oc4ccc5c6c4c(O1)ccc6CC=C5)([N](=Nc1[n]2cccc1)c1ccccc1)[N](=Nc1[n]3cccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Different manifestations of enhanced π-acceptor ligation at every redox level of [Os(9-OP)L2](n), n = 2+, +, 0, - (9-OP(-) = 9-oxidophenalenone and L = bpy or pap).
• Authors of publication: Hazari, Arijit Singha; Paretzki, Alexa; Fiedler, Jan; Zalis, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18241 - 18251
• a: 10.552 ± 0.002 Å
• b: 19.785 ± 0.003 Å
• c: 15.902 ± 0.002 Å
• α: 90°
• β: 109.019 ± 0.001°
• γ: 90°
• Cell volume: 3138.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No