Information card for entry 7202027

Structure parameters

• Formula: C18 H26 Cu N4 O10
• Calculated formula: C18 H26 Cu N4 O10
• SMILES: C1(=O)CC(=O)O[Cu]2(O1)OC(=O)CC(=O)O2.c1(cc(cc[nH+]1)C)N.O.c1(cc(cc[nH+]1)C)N.O
• Title of publication: pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes
• Authors of publication: Choudhury, Somnath Ray; Jana, Atish Dipankar; Chen, Chih-Yuan; Dutta, Amitava; Colacio, Enrique; Lee, Hon Man; Mostafa, Golam; Mukhopadhyay, Subrata
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1358
• a: 15.4913 ± 0.0008 Å
• b: 9.6377 ± 0.0004 Å
• c: 7.4509 ± 0.0003 Å
• α: 90°
• β: 102.594 ± 0.002°
• γ: 90°
• Cell volume: 1085.66 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No