Information card for entry 2243481

Structure parameters

• Chemical name: Bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)
• Formula: C26 H30 B2 Fe N10
• Calculated formula: C26 H30 B2 Fe N10
• SMILES: [Fe]1234([n]5c(cccc5)c5[n]1n(cc5)[BH2]n1[n]2c(cc1C)C)[n]1ccccc1c1[n]3n(cc1)[BH2]n1[n]4c(cc1C)C
• Title of publication: Crystal structure of bis{(3,5-dimethylpyrazol-1-yl)dihydro[3-(pyridin-2-yl)pyrazol-1-yl]borato}iron(II)
• Authors of publication: Ossinger, Sascha; Näther, Christian; Tuczek, Felix
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1266 - 1270
• a: 17.1798 ± 0.0006 Å
• b: 8.7991 ± 0.0002 Å
• c: 18.7608 ± 0.0007 Å
• α: 90°
• β: 99.711 ± 0.003°
• γ: 90°
• Cell volume: 2795.37 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes