Information card for entry 4084072

Structure parameters

• Common name: trans-[Fe(MeCN)2(7a)](SbF6) (9a)
• Formula: C40 H44 Cl4 F12 Fe N4 P2 Sb2
• Calculated formula: C40 H44 Cl4 F12 Fe N4 P2 Sb2
• Title of publication: Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest
• Authors of publication: Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4086
• a: 10.1702 ± 0.001 Å
• b: 11.443 ± 0.0011 Å
• c: 11.597 ± 0.0012 Å
• α: 61.817 ± 0.002°
• β: 88.618 ± 0.002°
• γ: 85.323 ± 0.002°
• Cell volume: 1185.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No