Information card for entry 7025320

Structure parameters

• Formula: C80 H156 Gd4 Mn4 N12 O40
• Calculated formula: C78 H144 Gd4 Mn4 N11 O40
• Title of publication: Structures and magnetic properties of Mn(III)₄Ln(III)₄ aggregates with a "square-in-square" topology.
• Authors of publication: Mereacre, Valeriu; Akhtar, Muhammad Nadeem; Lan, Yanhua; Ako, Ayuk M.; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4918 - 4927
• a: 16.451 ± 0.0012 Å
• b: 35.238 ± 0.003 Å
• c: 21.3877 ± 0.0016 Å
• α: 90°
• β: 111.678 ± 0.001°
• γ: 90°
• Cell volume: 11521.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0797
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No