Information card for entry 4065123

Structure parameters

• Formula: C34 H38 Fe P2
• Calculated formula: C34 H38 Fe P2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19P(c1ccccc1)c1ccccc1)[C@H](PC12CC3CC(C1)CC(C2)C3)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands
• Authors of publication: Buergler, Jonas F.; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4742
• a: 7.2177 ± 0.0005 Å
• b: 12.5755 ± 0.0008 Å
• c: 31.99 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2903.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No