Information card for entry 7211478

Structure parameters

• Formula: C40 H32 Cu2 N8 O14
• Calculated formula: C40 H32 Cu2 N8 O14
• SMILES: c12c3cccc[n]3[Cu]34([n]1cccc2)OC(=O)C(Nc1cccc(NC(=O)C(=O)O[Cu]25([n]6ccccc6c6cccc[n]26)OC(=O)C(Nc2cccc(NC(=O)C(=O)O4)c2)=[O]5)c1)=[O]3.O.O
• Title of publication: Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand
• Authors of publication: Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10165
• a: 11.03 ± 0.002 Å
• b: 13.57 ± 0.003 Å
• c: 13.623 ± 0.003 Å
• α: 90°
• β: 113.4 ± 0.03°
• γ: 90°
• Cell volume: 1871.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No