Information card for entry 7707007

Structure parameters

• Formula: C22 H26 B F6 Mn N4 O2
• Calculated formula: C22 H26 B F6 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: 9.5085 ± 0.001 Å
• b: 17.3942 ± 0.0018 Å
• c: 14.6462 ± 0.0015 Å
• α: 90°
• β: 104.778 ± 0.002°
• γ: 90°
• Cell volume: 2342.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No