Information card for entry 7053609

Structure parameters

• Formula: C34 H45 B Fe N2
• Calculated formula: C34 H45 B Fe N2
• SMILES: B(Nc1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 21.451 ± 0.004 Å
• b: 10.016 ± 0.002 Å
• c: 28.699 ± 0.006 Å
• α: 90°
• β: 99.88 ± 0.03°
• γ: 90°
• Cell volume: 6075 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No