Information card for entry 1517874

Structure parameters

• Formula: C13 H21 Fe P5
• Calculated formula: C13 H21 Fe P5
• SMILES: [Fe]12345678(P9P1P2P3P49)[c]1([cH]8[c]7([cH]6[cH]51)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: 18.7588 ± 0.0008 Å
• b: 6.5778 ± 0.0003 Å
• c: 14.1509 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1746.1 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No