Information card for entry 7035161

Structure parameters

• Formula: C42 H60 F3 Mn N8 O5 S
• Calculated formula: C38 H51 F3 Mn N7.972 O4 S
• Title of publication: Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.
• Authors of publication: Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10377 - 10384
• a: 15.0279 ± 0.0013 Å
• b: 23.222 ± 0.002 Å
• c: 26.969 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9411.6 ± 1.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No