Information card for entry 2011136

Structure parameters

• Formula: C16 H8 Cu N8
• Calculated formula: C16 H8 Cu N8
• SMILES: [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(N=C=NC#N)(N=CNC#N)[N]#CN=C=N[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)N=C=NC#N
• Title of publication: <i>catena</i>-Poly[[dicyanamido(1,10-phenanthroline)copper(II)]-μ-dicyanamido]
• Authors of publication: Wang, Zhe-Ming; Luo, Jun; Sun, Bai-Wang; Yan, Chun-Hua; Gao, Song; Liao, Chun-Sheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 786 - 788
• a: 9.8389 ± 0.0003 Å
• b: 11.2975 ± 0.0005 Å
• c: 14.234 ± 0.0005 Å
• α: 90°
• β: 100.988 ± 0.002°
• γ: 90°
• Cell volume: 1553.17 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes