Information card for entry 2239789

Structure parameters

• Chemical name: <i>trans</i>-Dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II)
• Formula: C60 H80 Br2 Fe N8
• Calculated formula: C60 H80 Br2 Fe N8
• Title of publication: Crystal structures of <i>trans</i>-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II), <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) and <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate
• Authors of publication: Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 72 - 76
• a: 9.0391 ± 0.0011 Å
• b: 12.7658 ± 0.0011 Å
• c: 13.689 ± 0.002 Å
• α: 74.502 ± 0.009°
• β: 74.481 ± 0.012°
• γ: 84.343 ± 0.009°
• Cell volume: 1466 ± 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: 0.1052
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes