Information card for entry 7035162

Structure parameters

• Formula: C44 H69 F3 Fe N12 O5 S
• Calculated formula: C37 H51 F3 Fe N10 O3 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: 15.225 ± 0.002 Å
• b: 23.068 ± 0.003 Å
• c: 26.462 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9294 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No