Information card for entry 7039399

Structure parameters

• Formula: C64 H96 Br2 Fe2 N4 P2
• Calculated formula: C64 H96 Br2 Fe2 N4 P2
• SMILES: C12=C(CCC1)P(=[N](c1c(C)cc(C)cc1C)[Fe]1(N2c2c(C(C)C)cccc2C(C)C)[Br][Fe]2(N(C3=C(CCC3)P(=[N]2c2c(C)cc(C)cc2C)(C(C)C)C(C)C)c2c(C(C)C)cccc2C(C)C)[Br]1)(C(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: 9.999 ± 0.003 Å
• b: 13.544 ± 0.005 Å
• c: 13.905 ± 0.005 Å
• α: 62.101 ± 0.006°
• β: 72.296 ± 0.007°
• γ: 85.151 ± 0.007°
• Cell volume: 1581.7 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No