Information card for entry 2226779

Structure parameters

• Chemical name: Diaqua(1,4,8,11-tetraazacyclotetradecane-\ κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)copper(II) didecanoate dihydrate
• Formula: C30 H70 Cu N4 O8
• Calculated formula: C30 H70 Cu N4 O8
• SMILES: C1CC[NH]2CC[NH]3[Cu]42([NH]1CC[NH]4CCC3)([OH2])[OH2].C(=O)(CCCCCCCCC)[O-].O.C(=O)(CCCCCCCCC)[O-].O
• Title of publication: Diaqua(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)copper(II) didecanoate dihydrate
• Authors of publication: Ahmad Tajidi, Nur Syamimi; Abdullah, Norbani; Arifin, Zainudin; Tan, Kong Wai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m888
• a: 6.982 ± 0.0006 Å
• b: 8.8006 ± 0.0008 Å
• c: 15.3291 ± 0.0013 Å
• α: 95.045 ± 0.001°
• β: 93.158 ± 0.001°
• γ: 98.423 ± 0.001°
• Cell volume: 925.93 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes