Information card for entry 7054350

Structure parameters

• Formula: C12 H16 Cu N10
• Calculated formula: C12 H16 Cu N10
• SMILES: c12cccc[n]1[Cu]1([n]3c(cccc3)C[NH2]1)([NH2]C2)(N=N#N)N=N#N
• Title of publication: Chain of dimers to assembly of trimers: temperature and ligand influenced formation of novel supramolecular assemblies of Cu(ii) with isomeric (aminomethyl) pyridines and azide
• Authors of publication: Sunkari, Sailaja S.; Kharediya, Bhagwan; Saha, Satyen; Elrez, Bahjat; Sutter, Jean-Pascal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 8
• Pages of publication: 3529
• a: 8.6111 ± 0.0002 Å
• b: 9.1061 ± 0.0002 Å
• c: 9.3794 ± 0.0002 Å
• α: 90°
• β: 93.735 ± 0.002°
• γ: 90°
• Cell volume: 733.91 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054188
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No