Information card for entry 4069432

Structure parameters

• Formula: C22 H36 K2 O4
• Calculated formula: C22 H36 K2 O4
• SMILES: COCCOC.[K+].[cH-]1cccc1.[K+].C1CCCO1.[cH-]1cccc1.C1CCCO1
• Title of publication: Photochemistry of Cymantrenyl Scorpionates: Formation of a Novel Tritopic Cyclopentadienyl/Scorpionate Hybrid Ligand
• Authors of publication: Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 3079
• a: 10.521 ± 0.003 Å
• b: 8.748 ± 0.002 Å
• c: 13.959 ± 0.005 Å
• α: 90°
• β: 94.37 ± 0.02°
• γ: 90°
• Cell volume: 1281 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2531
• Residual factor for significantly intense reflections: 0.1845
• Weighted residual factors for significantly intense reflections: 0.447
• Weighted residual factors for all reflections included in the refinement: 0.4795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No