Information card for entry 2014041

Structure parameters

• Chemical name: Bis(μ-1,10-phenanthrolin-2-olato-κ^3^N,N',O)dicopper(I) monohydrate
• Formula: C24 H16 Cu2 N4 O3
• Calculated formula: C24 H14 Cu2 N4 O3
• SMILES: c1ccc2c3c4c(cc2)ccc2[n]4[Cu]4([Cu]5([n]6cccc7c6c6c(cc7)ccc([n]56)O4)O2)[n]13.O
• Title of publication: Bis(μ-1,10-phenanthrolin-2-olato-κ^3^<i>N</i>,<i>N</i>':<i>O</i>)dicopper(I)(<i>Cu{—</i>Cu}) monohydrate
• Authors of publication: Lu, Li-Ping; Feng, Si-Si; Zhang, Hong-Mei; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m283 - m284
• a: 30.344 ± 0.003 Å
• b: 3.6676 ± 0.0003 Å
• c: 19.1508 ± 0.0017 Å
• α: 90°
• β: 107.578 ± 0.001°
• γ: 90°
• Cell volume: 2031.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes