Information card for entry 7025446

Structure parameters

• Formula: C39 H39 B2 F8 Fe N9
• Calculated formula: C39 H39 B1.99 F7.96 Fe N9
• Title of publication: fac-Specific syntheses of homochiral [Fe(NN)3]2+ complexes (NN = pyridine keto-hydrazone); origins of the stereoselectivity.
• Authors of publication: Sebli, Cynthia Paul; Howson, Suzanne E.; Clarkson, Guy J.; Scott, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4447 - 4454
• a: 15.8761 ± 0.0004 Å
• b: 15.8761 ± 0.0004 Å
• c: 10.5809 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2309.62 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No