Information card for entry 7223951

Structure parameters

• Formula: C48 H43 Cl6 Fe3 N P2
• Calculated formula: C48 H43 Cl6 Fe3 N P2
• Title of publication: Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes
• Authors of publication: Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.1961 ± 0.0005 Å
• b: 18.5027 ± 0.001 Å
• c: 14.0562 ± 0.0008 Å
• α: 90°
• β: 96.081 ± 0.002°
• γ: 90°
• Cell volume: 2378.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No