Information card for entry 7000505

Structure parameters

• Formula: C24 H48 Cu N2 O8
• Calculated formula: C24 H48 Cu N2 O8
• SMILES: C1OCC[NH]2[Cu](OC(=O)CCCCC)([NH](CCOC1)CCOCCOCC2)OC(=O)CCCCC
• Title of publication: Azacrown ether‒copper(ii)‒hexanoate complexes. From monomer to 1-D metal organic polymer
• Authors of publication: Wojciechowski, Kamil; Bitner, Anna; Bernardinelli, Gérald; Brynda, Marcin
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1114 - 1122
• a: 10.5343 ± 0.0009 Å
• b: 16.7311 ± 0.0009 Å
• c: 8.3453 ± 0.0005 Å
• α: 90°
• β: 91.272 ± 0.009°
• γ: 90°
• Cell volume: 1470.5 ± 0.17 ų
• Cell temperature: 200 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No