Information card for entry 7708717

Structure parameters

• Formula: C36 H30 Fe I2 P2
• Calculated formula: C36 H30 Fe I2 P2
• SMILES: I[Fe](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles
• Authors of publication: Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 19.393 ± 0.004 Å
• b: 10.2581 ± 0.0014 Å
• c: 18.053 ± 0.004 Å
• α: 90°
• β: 112.123 ± 0.018°
• γ: 90°
• Cell volume: 3327 ± 1.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• 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: 0.1269
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.666
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No