Information card for entry 7705542

Structure parameters

• Formula: C96 H192 Mn11 N6 O34
• Calculated formula: C96 H192 Mn11 N6 O34
• Title of publication: New members of the polynuclear manganese family: MnMn single-molecule magnets and MnMn antiferromagnetic complexes. Synthesis and magnetostructural correlations.
• Authors of publication: Reis Conceição, Nuno; Nesterova, Oksana V.; Rajnák, Cyril; Boča, Roman; Pombeiro, Armando J. L.; Guedes da Silva, M Fátima C; Nesterov, Dmytro S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 13970 - 13985
• a: 25.906 ± 0.003 Å
• b: 20.793 ± 0.002 Å
• c: 24.835 ± 0.004 Å
• α: 90°
• β: 116.407 ± 0.005°
• γ: 90°
• Cell volume: 11982 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3273
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.3278
• Weighted residual factors for all reflections included in the refinement: 0.438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No