Information card for entry 7042794

Structure parameters

• Formula: C22 H20 Fe P2
• Calculated formula: C22 H20 Fe P2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)Pc1ccccc1)Pc1ccccc1
• Title of publication: Phosphido complexes derived from 1,1’-ferrocenediyl-bridged secondary diphosphines
• Authors of publication: Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 5.9967 ± 0.0014 Å
• b: 26.083 ± 0.007 Å
• c: 11.9 ± 0.004 Å
• α: 90°
• β: 101.87 ± 0.02°
• γ: 90°
• Cell volume: 1821.5 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No