Information card for entry 1519307

Structure parameters

• Formula: C9.5 H9 B Fe O4
• Calculated formula: C9.5 H9 B Fe O4
• Title of publication: C9.5H9BFeO4
• Authors of publication: Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Steed, J. W.; Evans, D. J.; Jones, C.; Willock, D. J.; Dickinson, A. A.; Rossin, A.; Calder, R. J.; Aldridge, Simon
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 64
• a: 26.798 ± 0.002 Å
• b: 6.0907 ± 0.0006 Å
• c: 12.6373 ± 0.0015 Å
• α: 90°
• β: 108.968 ± 0.003°
• γ: 90°
• Cell volume: 1950.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No