Information card for entry 7210646

Structure parameters

• Formula: C17 H31 Cu N5 O4
• Calculated formula: C17 H31 Cu N5 O4
• SMILES: C(=O)(c1c(C(=O)[O-])nccc1)O[Cu]12([NH2]CC(C[NH2]1)(C)C)[NH2]CC(C[NH2]2)(C)C
• Title of publication: Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate
• Authors of publication: Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1244
• a: 12.996 ± 0.005 Å
• b: 22.878 ± 0.005 Å
• c: 13.696 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.972 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4062 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No