Information card for entry 2016350

Structure parameters

• Chemical name: Diaquabis(quinoxaline-2-carboxylato-κ^2^N^1^,O)copper(II)
• Formula: C18 H14 Cu N4 O6
• Calculated formula: C18 H14 Cu N4 O6
• SMILES: c12ccccc1[n]1c(cn2)C(=O)O[Cu]21([OH2])([n]1c3c(cccc3)ncc1C(=O)O2)[OH2]
• Title of publication: Diaquabis(quinoxaline-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)copper(II)
• Authors of publication: Yue Feng; Gang Liu; Xiu-Mei Tian; Ji-De Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m598 - m600
• a: 5.9278 ± 0.0005 Å
• b: 22.256 ± 0.002 Å
• c: 7.2456 ± 0.0006 Å
• α: 90°
• β: 113.393 ± 0.002°
• γ: 90°
• Cell volume: 877.33 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes