Information card for entry 2229962

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) didodecanoate dihydrate
• Formula: C34 H78 Cu N4 O8
• Calculated formula: C34 H78 Cu N4 O8
• SMILES: C1C[NH]2[Cu]34([NH](CCC[NH]13)CC[NH]4CCC2)([OH2])[OH2].O=C([O-])CCCCCCCCCCC.O.CCCCCCCCCCCC(=O)[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) didodecanoate dihydrate
• Authors of publication: Ahmad Tajidi, Nur Syamimi; Abdullah, Norbani; Arifin, Zainudin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m588 - m589
• a: 6.9972 ± 0.0004 Å
• b: 8.8164 ± 0.0005 Å
• c: 17.1495 ± 0.001 Å
• α: 96.218 ± 0.003°
• β: 99.137 ± 0.003°
• γ: 98.329 ± 0.003°
• Cell volume: 1024.13 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes