Information card for entry 7249513

Structure parameters

• Formula: C24 H24 Mn N2 O6
• Calculated formula: C24 H24 Mn N2 O6
• Title of publication: Solvation and oxidation effects on the crystal structure and morphology of tetraoxolene-based materials
• Authors of publication: Kamin, Ashlyn A.; Brannan, E. J.; Snook, Kathleen M.; Krajewski, Sebastian; Gannon, Paige M.; Kaminsky, Werner; Xiao, Dianne J.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 45
• Pages of publication: 6396 - 6402
• a: 10.1118 ± 0.0012 Å
• b: 10.1118 ± 0.0012 Å
• c: 18.832 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1667.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No