Information card for entry 7038279

Structure parameters

• Chemical name: Olex2 1.2-beta(compiled 2014.05.21 svn.r2942 for OlexSys, GUI svn.r4844)
• Formula: C120 H126 Cu6 N6 O21
• Calculated formula: C120 H126 Cu6 N6 O21
• 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: 13.3056 ± 0.0015 Å
• b: 18.004 ± 0.002 Å
• c: 47.337 ± 0.005 Å
• α: 90°
• β: 96.278 ± 0.004°
• γ: 90°
• Cell volume: 11272 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No