Information card for entry 4309749

Structure parameters

• Formula: C54 H60 K2 N4 O4 P2
• Calculated formula: C54 H60 K2 N4 O4 P2
• SMILES: P([N]1[K]2([N](#Cc3c1cccc3)[K]1([N]2#Cc2c(cccc2)[N]1P(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(c1ccccc1)c1ccccc1
• Title of publication: NMR, PGSE Diffusion, and X-ray Diffraction Studies of Lithium and Potassium Salts Derived from Diphenylphosphino(o-cyanophenyl)aniline and Their Crown Ether Complexes
• Authors of publication: Ignacio Fernández; Frank Breher; Paul S. Pregosin; Zhaofu Fei; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7616 - 7623
• a: 9.8819 ± 0.0007 Å
• b: 10.7594 ± 0.0008 Å
• c: 12.7185 ± 0.0009 Å
• α: 93.098 ± 0.002°
• β: 96.393 ± 0.002°
• γ: 100.469 ± 0.002°
• Cell volume: 1317.67 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No