Information card for entry 7703640

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: 8.475 ± 0.005 Å
• b: 12.071 ± 0.006 Å
• c: 15.976 ± 0.009 Å
• α: 91.492 ± 0.013°
• β: 96.673 ± 0.012°
• γ: 108.444 ± 0.012°
• Cell volume: 1536.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No