Information card for entry 1517875

Structure parameters

• Formula: C17 H29 Fe P5
• Calculated formula: C17 H29 Fe P5
• SMILES: [Fe]12345678(P9[P]1=[P]2[P]3=[P]49)[c]1([c]5([cH]6[c]7([cH]81)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A comparative study of the coordination behavior of cyclo-P5and cyclo-As5ligand complexes towards the trinuclear Lewis acid complex (perfluoro-ortho-phenylene)mercury
• Authors of publication: Fleischmann, Martin; Jones, James S.; Gabbaï, François P.; Scheer, Manfred
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 132
• a: 9.0507 ± 0.0001 Å
• b: 25.602 ± 0.0003 Å
• c: 10.1648 ± 0.0002 Å
• α: 90°
• β: 115.783 ± 0.002°
• γ: 90°
• Cell volume: 2120.87 ± 0.06 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No