Information card for entry 7048125

Structure parameters

• Formula: C16 H17 B F4 Fe0.5 N9 O
• Calculated formula: C16 H17 B F4 Fe0.5 N9 O
• Title of publication: Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.
• Authors of publication: Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 17109 - 17121
• a: 7.7191 ± 0.0002 Å
• b: 11.2092 ± 0.0003 Å
• c: 11.6297 ± 0.0003 Å
• α: 75.435 ± 0.002°
• β: 89.899 ± 0.002°
• γ: 86.181 ± 0.002°
• Cell volume: 971.64 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No