Information card for entry 4345239

Structure parameters

• Formula: C56 H82 Mn N6 O9
• Calculated formula: C56 H82 Mn N6 O9
• Title of publication: Ferromagnetic Coupling in the Heterospin Bis-Catecholato–Manganese(IV) Complex with Pyridine Substituted by Nitronyl-nitroxide
• Authors of publication: Bubnov, Michael P.; Teplova, Irina A.; Kopylova, Eugenia A.; Kozhanov, Konstantin A.; Bogomyakov, Artem S.; Petrova, Marina V.; Morozov, Vitaly A.; Ovcharenko, Victor I.; Cherkasov, Vladimir K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 13.9309 ± 0.0003 Å
• b: 14.1843 ± 0.0004 Å
• c: 16.8795 ± 0.0005 Å
• α: 101.436 ± 0.002°
• β: 94.095 ± 0.002°
• γ: 118.079 ± 0.003°
• Cell volume: 2831.57 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No