Information card for entry 2210392

Structure parameters

• Chemical name: Aqua(di-2-pyridylamine-κ^2^N^2^,N^2'^)(D-gluconato-κ^2^O,O')copper(II) trihydrate
• Formula: C16 H27 Cu N3 O11
• Calculated formula: C16 H27 Cu N3 O11
• SMILES: [Cu]12([n]3c(Nc4[n]2cccc4)cccc3)(OC(=O)[C@H](O1)[C@@H](O)[C@H](O)[C@H](O)CO)[OH2].O.O.O
• Title of publication: Aqua(di-2-pyridylamine-κ^2^<i>N</i>^2^,<i>N</i>^2'^)(<small>D</small>-gluconato-κ^2^<i>O</i>,<i>O</i>')copper(II) trihydrate
• Authors of publication: Masahiro Yodoshi; Mamiko Odoko; Nobuo Okabe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2021 - m2023
• a: 13.02 ± 0.01 Å
• b: 5.447 ± 0.005 Å
• c: 14.52 ± 0.01 Å
• α: 90°
• β: 97.34 ± 0.04°
• γ: 90°
• Cell volume: 1021.3 ± 1.4 ų
• Cell temperature: 123 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No