Information card for entry 7038276

Structure parameters

• Formula: C46 H44 Cu2 N2 O8 S
• Calculated formula: C46 H44 Cu2 N2 O8 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: 9.8067 ± 0.0004 Å
• b: 11.9518 ± 0.0005 Å
• c: 19.7047 ± 0.0007 Å
• α: 83.844 ± 0.003°
• β: 79.762 ± 0.003°
• γ: 69.662 ± 0.004°
• Cell volume: 2128.49 ± 0.16 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No