Information card for entry 7053610

Structure parameters

• Formula: C26 H48 B2 Fe N4
• Calculated formula: C26 H48 B2 Fe N4
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)B(NC(C)(C)C)NC(C)(C)C)B(NC(C)(C)C)NC(C)(C)C
• Title of publication: Syntheses and structures of new alkali-metal boraamidinates and ferrocenyl aminoboranes
• Authors of publication: Corrente, Andrea M.; Chivers, Tristram
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1751
• a: 10.265 ± 0.002 Å
• b: 12.189 ± 0.002 Å
• c: 13.101 ± 0.003 Å
• α: 109.7 ± 0.03°
• β: 102.12 ± 0.03°
• γ: 103.19 ± 0.03°
• Cell volume: 1427.1 ± 0.7 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: 0.0462
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No