Information card for entry 4105317

Structure parameters

• Formula: C18 H34 B2 Fe N2
• Calculated formula: C18 H34 B2 Fe N2
• SMILES: [BH2]([N](CC)(C)C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)[BH2][N](CC)(C)C
• Title of publication: Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers
• Authors of publication: Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16319 - 16329
• a: 5.944 ± 0.002 Å
• b: 9.561 ± 0.003 Å
• c: 9.609 ± 0.003 Å
• α: 113.82 ± 0.02°
• β: 97.85 ± 0.03°
• γ: 92.99 ± 0.03°
• Cell volume: 491.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.3335
• Weighted residual factors for all reflections included in the refinement: 0.3527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No