Information card for entry 7035158

Structure parameters

• Formula: C42 H61 F3 Fe N8 O5 S
• Calculated formula: C42 H61 F3 Fe N8 O5 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: 14.86 ± 0.003 Å
• b: 23.493 ± 0.004 Å
• c: 26.472 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9242 ± 3 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No