Information card for entry 4322735

Structure parameters

• Formula: C128 H124 B Cl6 Mn6 Na O24
• Calculated formula: C127.1 H122 B Cl5.68 Mn6 Na O24
• SMILES: [Mn]1234([O]([Mn]567(OC(=CC(=[O]7)c7ccccc7)c7ccccc7)[O]1([Na]1789[O]3(C)[Mn]3%10([O]2C)([O]([Mn]2%11(OC(=CC(=[O]%11)c%11ccccc%11)c%11ccccc%11)([O]([Mn]%11%12([O]72C)([O]([Mn]2([O]5C)([O]61C)([O]=C(c1ccccc1)C=C(O2)c1ccccc1)[O]8%11C)C)[O]=C(c1ccccc1)C=C(O%12)c1ccccc1)C)[O]93C)C)[O]=C(c1ccccc1)C=C(O%10)c1ccccc1)C)C)[O]=C(c1ccccc1)C=C(O4)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A Ferromagnetic Ring of Six Manganese(III) Ions with a S = 12 Ground State
• 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: 1430 - 1431
• a: 14.392 ± 0.003 Å
• b: 16.79 ± 0.002 Å
• c: 17.344 ± 0.003 Å
• α: 61.422 ± 0.011°
• β: 72.357 ± 0.013°
• γ: 88.96 ± 0.02°
• Cell volume: 3466.8 ± 1.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections: 0.2741
• Weighted residual factors for significantly intense reflections: 0.24
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No