Information card for entry 4083931

Structure parameters

• Formula: C25 H31 B2 F8 Fe N4
• Calculated formula: C25 H31 B2 F8 Fe N4
• Title of publication: Cationic Half-Sandwich Iron(II) and Iron(III) Complexes with N-Heterocyclic Carbene Ligands
• Authors of publication: Cardoso, João M. S.; Fernandes, Ana; Cardoso, Bernardo de P.; Carvalho, Maria Deus; Ferreira, Liliana P.; Calhorda, Maria José; Royo, Beatriz
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5670
• a: 9.3934 ± 0.0017 Å
• b: 9.8831 ± 0.0018 Å
• c: 15.037 ± 0.003 Å
• α: 88.339 ± 0.002°
• β: 88.353 ± 0.002°
• γ: 86.076 ± 0.002°
• Cell volume: 1391.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No