Information card for entry 2211554

Structure parameters

• Chemical name: Aqua[bis(2-pyridylmethyl)amine][chelidonato(1.5-)]copper(II) chelidonate(0.5-) monohydrate
• Formula: C26 H23 Cu N3 O14
• Calculated formula: C26 H23 Cu N3 O14
• Title of publication: Aqua[bis(2-pyridylmethyl)amine][chelidonato(1.5‒)]copper(II) chelidonate(0.5‒) monohydrate
• Authors of publication: Fainerman-Melnikova, Marina; Clegg, Jack K.; Codd, Rachel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3582 - m3584
• a: 8.0667 ± 0.0019 Å
• b: 12.705 ± 0.003 Å
• c: 13.688 ± 0.004 Å
• α: 91.861 ± 0.006°
• β: 107.121 ± 0.004°
• γ: 105.337 ± 0.004°
• Cell volume: 1283.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes