Information card for entry 4076583

Structure parameters

• Formula: C56 H73 Fe2 N P2
• Calculated formula: C56 H73 Fe2 N P2
• Title of publication: A New Type of Phosphaferrocene‒Pyrrole‒Phosphaferrocene P-N-P Pincer Ligand
• Authors of publication: Tian, Rongqiang; Ng, Yongxiang; Ganguly, Rakesh; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2486
• a: 16.1816 ± 0.0011 Å
• b: 20.1417 ± 0.0014 Å
• c: 15.0553 ± 0.0011 Å
• α: 90°
• β: 99.085 ± 0.003°
• γ: 90°
• Cell volume: 4845.3 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No