Information card for entry 7008833

Structure parameters

• Formula: C23 H31 B Br2 Fe N2
• Calculated formula: C23 H31 B Br2 Fe N2
• SMILES: C1([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)=[N](C2CCCCC2)[B](N1C1CCCCC1)(Br)Br
• Title of publication: Synthetic and structural chemistry of amidinate-substituted boron halides.
• Authors of publication: Hill, Nicholas J.; Findlater, Michael; Cowley, Alan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 19
• Pages of publication: 3229 - 3234
• a: 13.953 ± 0.005 Å
• b: 10.716 ± 0.005 Å
• c: 15.723 ± 0.005 Å
• α: 90°
• β: 103.837 ± 0.005°
• γ: 90°
• Cell volume: 2282.7 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No