Information card for entry 7024843

Structure parameters

• Formula: C28 H33 F6 Mn N9 O8 S2
• Calculated formula: C28 H33 F6 Mn N9 O8 S2
• SMILES: [Mn]123([N](CC[N]2(Cc2[n]1nn(c1ccc(OC)cc1)c2)C)(Cc1[n]3nn(c2ccc(OC)cc2)c1)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.CC#N
• 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: 19.677 ± 0.005 Å
• b: 14.929 ± 0.005 Å
• c: 25.509 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7493 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2497
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No