Information card for entry 7200732

Structure parameters

• Formula: C26 H40 Cu N2 O18
• Calculated formula: C26 H40 Cu N2 O18
• SMILES: C(=O)(CC[NH+](CCC(=O)O)c1c(cccc1)C(=O)[O-])O[Cu](OC(=O)CC[NH+](CCC(=O)O)c1ccccc1C(=O)[O-])([OH2])[OH2].O.O.O.O
• Title of publication: One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands
• Authors of publication: Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1089
• a: 14.3062 ± 0.0013 Å
• b: 7.3389 ± 0.0007 Å
• c: 14.963 ± 0.0014 Å
• α: 90°
• β: 102.636 ± 0.007°
• γ: 90°
• Cell volume: 1532.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No