Information card for entry 7703641

Structure parameters

• Formula: C61 H68 F12 Mn2 N8 O5 P2
• Calculated formula: C61 H68 F12 Mn2 N8 O5 P2
• Title of publication: Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.
• Authors of publication: Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4293 - 4305
• a: 8.4847 ± 0.0012 Å
• b: 12.1212 ± 0.0019 Å
• c: 16.144 ± 0.002 Å
• α: 92.47 ± 0.004°
• β: 96.645 ± 0.004°
• γ: 107.93 ± 0.004°
• Cell volume: 1563.6 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No