Information card for entry 7210647

Structure parameters

• Formula: C38 H50 Cu2 N10 O10
• Calculated formula: C38 H50 Cu2 N10 O10
• SMILES: C1(=O)c2c3ccc[n]2[Cu]([n]2c(CC)[nH]c(C)c2)([n]2c([nH]c(c2)C)CC)(O1)OC(=O)c1ccc[n]2c1C(=O)O[Cu]2(OC3=O)([n]1c(CC)[nH]c(C)c1)[n]1c([nH]c(C)c1)CC.O.O
• 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: 11.135 Å
• b: 13.601 Å
• c: 14.886 Å
• α: 90°
• β: 96.37°
• γ: 90°
• Cell volume: 2240.52 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0905
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No