Information card for entry 4319964

Structure parameters

• Formula: C24 H49 I K N7 O6 P3
• Calculated formula: C24 H49 I K N7 O6 P3
• SMILES: P1(N2CCCC2)(N2CCCC2)=NP2(N3CCCC3)=NP(N3CCCC3)(=N1)[O]1CC[O]3CC[O]4CC[O]5CC[O]2[K]1345([OH2])I
• Title of publication: Structure-Property Relationships of a Tetrapyrrolidinyl PNP-Lariat Ether and Its Complexes with Potassium, Sodium, and Silver Cations
• Authors of publication: Krystyna Brandt; Piotr Seliger; Andrzej Grzejdziak; Tadeusz J. Bartczak; Rafat Kruszynski; Dariusz Lach; Jerzy Silberring
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3704 - 3710
• a: 9.516 ± 0.001 Å
• b: 13.784 ± 0.001 Å
• c: 14.022 ± 0.001 Å
• α: 91.32 ± 0.01°
• β: 105.52 ± 0.01°
• γ: 92.47 ± 0.01°
• Cell volume: 1769.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No