Information card for entry 2013570

Structure parameters

• Chemical name: catena-poly[[[acetato(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ- dicyanamido-κ^2^N^1^:N^5^] trihydrate]
• Formula: C16 H17 Cu N5 O5
• Calculated formula: C16 H17 Cu N5 O5
• SMILES: [Cu]1(OC(=O)C)([n]2cccc3ccc4ccc[n]1c4c23)(N=C=NC#N)[N]#CN=C=N[Cu]1(OC(=O)C)[n]2cccc3ccc4ccc[n]1c4c23.O.O.O.O.O.O
• Title of publication: A one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands
• Authors of publication: Wu, A.-Qing; Cai, Li-Zhen; Chen, Wen-Tong; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m491 - m493
• a: 26.717 ± 0.004 Å
• b: 7.4853 ± 0.001 Å
• c: 20.601 ± 0.003 Å
• α: 90°
• β: 117.906 ± 0.009°
• γ: 90°
• Cell volume: 3640.8 ± 1 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: 0.077
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes