Information card for entry 4339721

Structure parameters

• Formula: C24 H42 N5 O13 P3
• Calculated formula: C24 H42 N5 O13 P3
• SMILES: P(=O)([O-])(O)O.P(=O)(O)(O)[O-].P(=O)([O-])(O)O.[NH2+]1Cc2nc(ccc2)C[NH2+]CCN(CC[NH2+]Cc2c3c(ccc2)cccc3)CC1.O
• Title of publication: Hydrogen and copper ion-induced molecular reorganizations in scorpionand-like ligands. A potentiometric, mechanistic, and solid-state study.
• Authors of publication: Verdejo, Begoña; Ferrer, Armando; Blasco, Salvador; Castillo, Carmen Esther; González, Jorge; Latorre, Julio; Máñez, M Angeles; Basallote, Manuel García; Soriano, Conxa; García-España, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5707 - 5719
• a: 8.908 ± 0.0002 Å
• b: 12.61 ± 0.0004 Å
• c: 14.271 ± 0.0005 Å
• α: 94.53 ± 0.0014°
• β: 100.772 ± 0.0013°
• γ: 98.109 ± 0.0019°
• Cell volume: 1549.89 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No