Information card for entry 7035451

Structure parameters

• Formula: C34 H35 B Fe
• Calculated formula: C34 H35 B Fe
• 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: 8.11722 ± 0.00006 Å
• b: 11.63718 ± 0.0001 Å
• c: 28.9944 ± 0.0002 Å
• α: 90°
• β: 94.504 ± 0.0007°
• γ: 90°
• Cell volume: 2730.4 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No