Information card for entry 2019417

Structure parameters

• Chemical name: Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']
• Formula: C21 H13 Cl Cu N6 O
• Calculated formula: C21 H13 Cl Cu N6 O
• SMILES: c1ccc2ccc3ccc[n]4[Cu]([n]1c2c34)(Cl)N=C=C(C(=C(C#N)C#N)OCC)C#N
• Title of publication: Poly[[chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~3~-1,1,3,3-tetracyano-2-ethoxypropenido-κ^3^<i>N</i>:<i>N</i>':<i>N</i>'']: coordination polymer sheets linked into bilayers by hydrogen bonds
• Authors of publication: Setifi, Zouaoui; Setifi, Fatima; El Ammari, Lahcen; El-Ghozzi, Malika; Sopková-de Oliveira Santos, Jana; Merazig, Hocine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 19 - 22
• a: 31.79 ± 0.03 Å
• b: 7.925 ± 0.006 Å
• c: 16.005 ± 0.013 Å
• α: 90°
• β: 97.69 ± 0.03°
• γ: 90°
• Cell volume: 3996 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes