Information card for entry 2215365

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(4,7-dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')(formato-κO)copper(II)]- μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Formula: C16 H16 Cu N2 O5
• Calculated formula: C16 H16 Cu N2 O5
• SMILES: [Cu]1([n]2ccc(c3ccc4c(cc[n]1c4c23)C)C)(OC=O)(OC=O)[O]=CO[Cu]1([n]2ccc(c3ccc4c(cc[n]1c4c23)C)C)OC=O.O.O
• Title of publication: <i>catena</i>-Poly[[[(4,7-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(formato-κ<i>O</i>)copper(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Authors of publication: Jian-Li Lin; Xue-ke Qiu; Yue-Qing Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2559 - m2560
• a: 21.26 ± 0.004 Å
• b: 7.501 ± 0.0015 Å
• c: 20.819 ± 0.004 Å
• α: 90°
• β: 109.17 ± 0.03°
• γ: 90°
• Cell volume: 3135.9 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes