Information card for entry 4322911

Structure parameters

• Formula: C62 H50 Mn2 O10
• Calculated formula: C62 H50 Mn2 O10
• SMILES: C[O]1[Mn]23([O]=C(C=C(O2)c2ccccc2)c2ccccc2)([O]=C(C=C(O3)c2ccccc2)c2ccccc2)[O](C)[Mn]231([O]=C(C=C(O2)c1ccccc1)c1ccccc1)[O]=C(C=C(O3)c1ccccc1)c1ccccc1
• Title of publication: Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster
• Authors of publication: Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3759 - 3766
• a: 9.612 ± 0.001 Å
• b: 10.74 ± 0.001 Å
• c: 13.168 ± 0.001 Å
• α: 80.39 ± 0.007°
• β: 87.658 ± 0.006°
• γ: 83.568 ± 0.007°
• Cell volume: 1331.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.0826
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No