Information card for entry 1543958

Structure parameters

• Formula: C34 H50 Cu2 N10 O14
• Calculated formula: C34 H50 Cu2 N10 O14
• SMILES: [Cu]12(OC(=O)c3[n]2cccc3C(=O)O[Cu]2(OC(=O)c3[n]2cccc3C(=O)O1)([n]1ccn(c1C)C)[n]1ccn(c1C)C)([n]1ccn(c1C)C)[n]1ccn(c1C)C.O.O.O.O.O.O
• Title of publication: Supramolecular assemblies of copper(II)-pyridine-2,3-dicarboxylate complexes with N-donor ligands and clustered water molecules
• Authors of publication: Fatih Semerci; Okan Zafer Yesilel; Halis Olmez; Orhan Buyukgungor
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 407 - 417
• a: 9.9011 ± 0.0008 Å
• b: 9.9889 ± 0.0008 Å
• c: 11.0849 ± 0.001 Å
• α: 93.694 ± 0.007°
• β: 102.311 ± 0.007°
• γ: 98.785 ± 0.007°
• Cell volume: 1053.18 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No