Information card for entry 1571252

Structure parameters

• Formula: C103.44 H78.88 Cl6.88 Li4 N16 O4 P4
• Calculated formula: C103.44 H78.88 Cl6.88 Li4 N16 O4 P4
• Title of publication: Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
• Authors of publication: Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5496 - 5506
• a: 22.4512 ± 0.0008 Å
• b: 22.4512 ± 0.0008 Å
• c: 10.3077 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5195.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No