Information card for entry 7715579

Structure parameters

• Formula: C84 H120 Mn3 N6 O12
• Calculated formula: C84 H120 Mn3 N6 O12
• Title of publication: Field induced slow magnetic relaxation in a linear homotrinuclear manganese heterospin coordination compound with <i>S</i> = 7/2 ground state and intriguing spin density distribution.
• Authors of publication: Shcherbakov, Igor N.; Krotkii, Ilya I.; Kazachkova, Victoria I.; Lyubchenko, Sergey N.; Efimov, Nikolay N.; Tsaturyan, Arshak A.; Lazarenko, Vladimir A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 6860 - 6864
• a: 16.67 ± 0.002 Å
• b: 16.67 ± 0.002 Å
• c: 53.676 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12918 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7527 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No