Information card for entry 7705539

Structure parameters

• Formula: C56 H114 Mn4 N4 O16
• Calculated formula: C56 H114 Mn4 N4 O16
• 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: 10.9695 ± 0.0013 Å
• b: 12.706 ± 0.002 Å
• c: 14.559 ± 0.002 Å
• α: 111.713 ± 0.01°
• β: 95.023 ± 0.008°
• γ: 113.158 ± 0.006°
• Cell volume: 1667.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1154
• 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: Yes
• Has Fobs: No