Information card for entry 7039403

Structure parameters

• Formula: C46 H67 Fe N3 P2
• Calculated formula: C46 H67 Fe N3 P2
• SMILES: [Fe]12([P](C3=C(N2c2c(cccc2C)C)CCC3)(C(C)C)C(C)C)[N](=P(C(C)C)(C(C)C)C2CCCC=2N1c1c(cccc1C)C)c1c(cccc1C)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: 19.562 ± 0.003 Å
• b: 11.2091 ± 0.0014 Å
• c: 20.674 ± 0.003 Å
• α: 90°
• β: 112.138 ± 0.003°
• γ: 90°
• Cell volume: 4199 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.1598
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No