Information card for entry 7114419

Structure parameters

• Common name: holjv01
• Chemical name: 2,4-bis(2,6-diisopropylphenylimido)pent-3-yl isobutyl iron(II)
• Formula: C33 H50 Fe N2
• Calculated formula: C33 H50 Fe N2
• Title of publication: Alkyl isomerisation in three-coordinate iron(ii) complexesElectronic supplementary information (ESI) available: general considerations, synthesis of compounds, kinetic studies and crystal data. See http://www.rsc.org/suppdata/cc/b2/b209389h/
• Authors of publication: Vela, Javier; Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2886
• a: 20.844 ± 0.0014 Å
• b: 8.6523 ± 0.0006 Å
• c: 17.9567 ± 0.0011 Å
• α: 90°
• β: 91.979 ± 0.001°
• γ: 90°
• Cell volume: 3236.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No