Information card for entry 7707005

Structure parameters

• Formula: C22 H26 As F8 Mn N4 O2
• Calculated formula: C22 H26 As F8 Mn N4 O2
• Title of publication: The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.
• Authors of publication: Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5899 - 5910
• a: 11.5522 ± 0.0011 Å
• b: 8.1697 ± 0.0008 Å
• c: 13.4202 ± 0.0011 Å
• α: 90°
• β: 94.453 ± 0.002°
• γ: 90°
• Cell volume: 1262.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No