Information card for entry 7035446

Structure parameters

• Formula: C50 H62 B Cl9 Fe K N O6
• Calculated formula: C50 H62 B Cl9 Fe K N O6
• 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: 11.5576 ± 0.0001 Å
• b: 12.4533 ± 0.0001 Å
• c: 20.8917 ± 0.0003 Å
• α: 103.389 ± 0.0004°
• β: 90.8717 ± 0.0004°
• γ: 101.9 ± 0.0004°
• Cell volume: 2856.08 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9637
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No