Information card for entry 4088390

Structure parameters

• Formula: C54 H100 K2 N2 O2 P4
• Calculated formula: C54 H100 K2 N2 O2 P4
• Title of publication: Potassium and Lithium Complexes with Monodeprotonated, Dearomatized PNP and PNCNHC Pincer-Type Ligands
• Authors of publication: Simler, Thomas; Karmazin, Lydia; Bailly, Corinne; Braunstein, Pierre; Danopoulos, Andreas A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 903
• a: 14.232 ± 0.003 Å
• b: 24.476 ± 0.005 Å
• c: 20.231 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7047 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2888
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No