Information card for entry 1520230

Structure parameters

• Formula: C26 H32 Fe N2 P2
• Calculated formula: C26 H32 Fe N2 P2
• SMILES: [Fe]123([P](C)(C)C)([P](C)(C)C)[n]4ccccc4C=C2c2ccccc2C3=Cc2[n]1cccc2
• Title of publication: Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study
• Authors of publication: Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4730
• a: 10.2138 ± 0.0008 Å
• b: 10.6014 ± 0.0008 Å
• c: 12.4208 ± 0.001 Å
• α: 88.674 ± 0.004°
• β: 67.062 ± 0.003°
• γ: 89.687 ± 0.004°
• Cell volume: 1238.24 ± 0.17 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No