Information card for entry 7037682

Structure parameters

• Formula: C23 H20 Cl2 N6 O4 Os
• Calculated formula: C23 H20 Cl2 N6 O4 Os
• SMILES: [Os]12(Cl)([n]3c(c4[n]2cccc4)cccc3)([n]2[nH]ccc2)[n]2c(c3[n]1cccc3)cccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Substituent directed selectivity in anion recognition by a new class of simple osmium-pyrazole derived receptors.
• Authors of publication: Das, Ankita; Mondal, Prasenjit; Dasgupta, Moumita; Kishore, Nand; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2605 - 2617
• a: 26.52 ± 0.008 Å
• b: 13.627 ± 0.004 Å
• c: 13.432 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4854 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No