Information card for entry 2203506

Structure parameters

• Formula: C10 H11 B Fe O2
• Calculated formula: C10 H11 B Fe O2
• SMILES: [Fe]12345678([c]9(B(O)O)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Hydrogen-bonding motifs in the solid-state structure of ferroceneboronic acid
• Authors of publication: Bresner, Christopher; Aldridge, Simon; Fallis, Ian A.; Ooi, Li-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m441 - m443
• a: 10.068 ± 0.0007 Å
• b: 7.008 ± 0.0005 Å
• c: 14.03 ± 0.0013 Å
• α: 90°
• β: 106.32 ± 0.003°
• γ: 90°
• Cell volume: 950.02 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes