Information card for entry 1543876

Structure parameters

• Chemical name: Bis[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methanol-κ<i>O</i>)iron(II)
• Formula: C14 H24 B2 Fe N8 O2
• Calculated formula: C14 H24 B2 Fe N8 O2
• SMILES: [Fe]12([OH]C)([OH]C)([n]3n(ccc3)[BH2]n3[n]1ccc3)[n]1n(ccc1)[BH2]n1[n]2ccc1
• Title of publication: Bis[dihydrobis(pyrazol-1-yl-κN2)borato]bis(methanol-κO)iron(II)
• Authors of publication: Ossinger, Sascha; Näther, Christian; Tuczek, Felix
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161252
• a: 9.743 ± 0.0005 Å
• b: 8.6535 ± 0.0003 Å
• c: 12.3173 ± 0.0006 Å
• α: 90°
• β: 111.67 ± 0.004°
• γ: 90°
• Cell volume: 965.09 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes