Information card for entry 4339724

Structure parameters

• Formula: C24 H34 Cl N5 O5
• Calculated formula: C24 H34 Cl N5 O5
• SMILES: Cl(=O)(=O)(=O)[O-].O.n1c2cccc1CNCCN(CC[NH2+]C2)CCNCc1cccc2c1cccc2
• 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: 8.937 ± 0.0013 Å
• b: 16.164 ± 0.0008 Å
• c: 18.057 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No