Information card for entry 7028520

Structure parameters

• Formula: C49 H47 Mn3 N12 O8
• Calculated formula: C49 H47 Mn3 N12 O8
• Title of publication: Homo- and heteropolymetallic 3-(2-pyridyl)pyrazolate manganese and rhenium complexes.
• Authors of publication: Arroyo, Marta; Gómez-Iglesias, Patricia; Antón, Noelia; García-Rodríguez, Raúl; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Miguel, Daniel; Villafañe, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4009 - 4020
• a: 19.466 ± 0.004 Å
• b: 11.453 ± 0.002 Å
• c: 23.586 ± 0.005 Å
• α: 90°
• β: 101.795 ± 0.005°
• γ: 90°
• Cell volume: 5147.3 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No