Information card for entry 7038277

Structure parameters

• Formula: C28 H27 Cu N2 O6 S
• Calculated formula: C28 H27 Cu N2 O6 S
• Title of publication: Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.
• Authors of publication: de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 172 - 189
• a: 23.9841 ± 0.0006 Å
• b: 5.8831 ± 0.0001 Å
• c: 41.7264 ± 0.0013 Å
• α: 90°
• β: 106.501 ± 0.003°
• γ: 90°
• Cell volume: 5645.1 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No