Information card for entry 7039400

Structure parameters

• Formula: C35 H54 Br Fe N2 P
• Calculated formula: C35 H54 Br Fe N2 P
• SMILES: [Fe]1(Br)[N](=P(C(C)C)(C(C)C)C2=C(N1c1c(cccc1C(C)C)C(C)C)CCC2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes.
• Authors of publication: Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 14697 - 14708
• a: 17.3586 ± 0.0005 Å
• b: 16.9214 ± 0.0005 Å
• c: 23.4188 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6878.8 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No