Information card for entry 4076584

Structure parameters

• Formula: C52.75 H60 Fe2 N O P2 Rh
• Calculated formula: C52.75 H60 Fe2 N O P2 Rh
• 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: 14.229 ± 0.003 Å
• b: 18.247 ± 0.004 Å
• c: 18.508 ± 0.005 Å
• α: 94.567 ± 0.008°
• β: 104.179 ± 0.006°
• γ: 90.188 ± 0.01°
• Cell volume: 4642.9 ± 1.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No