Information card for entry 2229653

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate heptahydrate
• Formula: C28 H36 Cu N4 O11
• Calculated formula: C28 H36 Cu N4 O11
• SMILES: [Cu]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)OC(=O)C.[O-]C(=O)C.O.O.O.O.O.O.O
• Title of publication: (Acetato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate heptahydrate
• Authors of publication: Jing, Buqin; Li, Lianzhi; Dong, Jianfang; Xu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m464
• a: 8.764 ± 0.004 Å
• b: 12.307 ± 0.005 Å
• c: 15.739 ± 0.007 Å
• α: 103.257 ± 0.007°
• β: 102.243 ± 0.007°
• γ: 97.606 ± 0.007°
• Cell volume: 1585.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1077
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes