Information card for entry 7707008

Structure parameters

• Formula: C22 H26 Br0.71 Cl0.29 F2 Mn N4 O2
• Calculated formula: C22 H26 Br0.711 Cl0.289 F2 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: 7.6696 ± 0.0013 Å
• b: 16.176 ± 0.003 Å
• c: 17.944 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2226.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No