Information card for entry 7053608

Structure parameters

• Formula: C18 H29 B Fe N2
• Calculated formula: C18 H29 B Fe N2
• SMILES: B(NC(C)(C)C)(NC(C)(C)C)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 17.365 ± 0.004 Å
• b: 5.9559 ± 0.0012 Å
• c: 35.48 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3669.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No