Information card for entry 7211479

Structure parameters

• Formula: C21 H17 Cu N4 O7 S
• Calculated formula: C21 H17 Cu N4 O7 S
• 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: 13.5402 ± 0.0008 Å
• b: 11.3945 ± 0.0007 Å
• c: 16.0434 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2475.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No