Information card for entry 7035447

Structure parameters

• Formula: C50 H69 B F Fe N
• Calculated formula: C50 H69 B F Fe N
• Title of publication: Extension of conjugation: probing anion binding strength and reporter mechanisms in (phenyl)cyclopentadienyl and indenyl receptors.
• Authors of publication: Tirfoin, Rémi; Abdalla, Joseph A. B.; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13049 - 13059
• a: 12.3296 ± 0.0001 Å
• b: 12.3296 ± 0.0001 Å
• c: 24.76 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3259.71 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9938
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No