Information card for entry 2220578

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(3- methoxybenzylidene)ethylenediamine]copper(I)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Formula: C19 H20 Cu N3 O2 S
• Calculated formula: C19 H20 Cu N3 O2 S
• SMILES: [Cu]1(SC#N)([N](=Cc2cc(OC)ccc2)CC[N]1=Cc1cccc(OC)c1)[N]#CS[Cu]1[N](=Cc2cc(OC)ccc2)CC[N]1=Cc1cccc(OC)c1
• Title of publication: <i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(3-methoxybenzylidene)ethylenediamine]copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Khalaji, Aliakbar Dehno; Hadadzadeh, Hassan; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m70
• a: 8.1316 ± 0.0003 Å
• b: 23.5113 ± 0.0009 Å
• c: 10.1597 ± 0.0004 Å
• α: 90°
• β: 107.124 ± 0.0015°
• γ: 90°
• Cell volume: 1856.27 ± 0.12 ų
• Cell temperature: 193 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes