Information card for entry 7038341

Structure parameters

• Formula: C55 H44 Cl4 N14 O10 Os2
• Calculated formula: C55 H44 Cl4 N14 O10 Os2
• SMILES: [Os]123([n]4ccccc4N=[N]1c1ccccc1)(Oc1ccc[n]4[Os]56(Oc7ccc[n]3c7c14)([n]1ccccc1N=[N]5c1ccccc1)[N](=Nc1[n]6cccc1)c1ccccc1)[N](=Nc1[n]2cccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Impact of {Os(pap)2} in fine-tuning the binding modes and non-innocent potential of deprotonated 2,2'-bipyridine-3,3'-diol.
• Authors of publication: Ghosh, Prabir; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5240 - 5252
• a: 25.706 ± 0.008 Å
• b: 14.289 ± 0.004 Å
• c: 35.063 ± 0.009 Å
• α: 90°
• β: 103.528 ± 0.018°
• γ: 90°
• Cell volume: 12522 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No