Information card for entry 7702431

Structure parameters

• Formula: C53 H102 Cl2 Gd2 Mn2 O24
• Calculated formula: C53 H102 Cl2 Gd2 Mn2 O24
• Title of publication: Synthesis, structural and magnetic characterisation of a new Mn‒Gd pivalate: preparation from a pre-formed hexanuclear cluster †
• Authors of publication: Benelli, Cristiano; Murrie, Mark; Parsons, Simon; Winpenny, Richard E. P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4125
• a: 22.761 ± 0.013 Å
• b: 13.423 ± 0.007 Å
• c: 24.023 ± 0.01 Å
• α: 90°
• β: 108.216 ± 0.017°
• γ: 90°
• Cell volume: 6972 ± 6 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 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: 0.1663
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No