Information card for entry 7024845

Structure parameters

• Formula: C24 H24 F6 Mn N10 O10 S2
• Calculated formula: C24 H24 F6 Mn N10 O10 S2
• SMILES: C1c2cn(c3ccc(cc3)N(=O)=O)n[n]2[Mn]23([N]1(CC[N]2(Cc1cn(c2ccc(cc2)N(=O)=O)n[n]31)C)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: "Click" tetradentate ligands.
• Authors of publication: Hao, Erhong; Wang, Zhaoyun; Jiao, Lijuan; Wang, Shaowu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2660 - 2666
• a: 9.0524 ± 0.0011 Å
• b: 26.257 ± 0.003 Å
• c: 15.0307 ± 0.0018 Å
• α: 90°
• β: 97.368 ± 0.002°
• γ: 90°
• Cell volume: 3543.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No