Information card for entry 7035159

Structure parameters

• Formula: C42 H59 Co F6 N7 O7 S2
• Calculated formula: C42 H59 Co F6 N7 O7 S2
• 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: 10.718 ± 0.002 Å
• b: 16.199 ± 0.003 Å
• c: 27.605 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4792.8 ± 1.6 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No