Information card for entry 2212385

Structure parameters

• Chemical name: Aqua(cyclobutane-1,1-dicarboxylato-κ^2^O,O')(di-2-pyridylamine- κ^2^N,N')copper(II) trihydrate
• Formula: C16 H23 Cu N3 O8
• Calculated formula: C16 H23 Cu N3 O8
• SMILES: [Cu]12([n]3ccccc3Nc3[n]2cccc3)(OC(=O)C2(CCC2)C(=O)O1)[OH2].O.O.O
• Title of publication: Aqua(cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II) trihydrate
• Authors of publication: Yodoshi, Masahiro; Mototsuji, Mari; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m634 - m636
• a: 8.81 ± 0.009 Å
• b: 11.19 ± 0.01 Å
• c: 11.203 ± 0.009 Å
• α: 70.31 ± 0.03°
• β: 80.18 ± 0.03°
• γ: 67.11 ± 0.03°
• Cell volume: 957 ± 1.5 ų
• Cell temperature: 123 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 significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No