Information card for entry 7035448

Structure parameters

• Formula: C50 H71 B F Fe N
• Calculated formula: C50 H71 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: 11.3315 ± 0.0004 Å
• b: 11.9625 ± 0.0003 Å
• c: 18.7698 ± 0.0005 Å
• α: 77.888 ± 0.002°
• β: 74.092 ± 0.003°
• γ: 64.932 ± 0.003°
• Cell volume: 2203.53 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1538
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9838
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No