Information card for entry 2012585

Structure parameters

• Common name: poly[(μ~2~-thiocyanato-N,S)-bis(nicotinamide-N)copper(I)
• Chemical name: catena-Poly[[bis(nicotinamide-κN^1^)copper(I)]-μ-thiocyanato-κ^2^N:S]
• Formula: C13 H12 Cu N5 O2 S
• Calculated formula: C13 H12 Cu N5 O2 S
• SMILES: [Cu]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)SC#[N][Cu](SC#N)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N
• Title of publication: <i>catena</i>-Poly[[bis(nicotinamide-κ<i>N</i>^1^)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Jeß, Inke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m190 - m192
• a: 8.9304 ± 0.0004 Å
• b: 21.3533 ± 0.0012 Å
• c: 7.5895 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes