Information card for entry 4085761

Structure parameters

• Common name: Compound 5
• Formula: C17 H33 Fe N2 P
• Calculated formula: C17 H33 Fe N2 P
• SMILES: [FeH]1234([P](C(C)C)(C)C(C)C)([c]5([c]2([c]1(C)[c]4([c]35C)C)C)C)[N]#N
• Title of publication: Silane‒Allyl Coupling Reactions of Cp*(iPr2MeP)Fe(η3-C3H5) and Synthetic Access to the Hydrido‒Dinitrogen Complex Cp*(iPr2MeP)FeH(N2)
• Authors of publication: Smith, Patrick W.; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2134
• a: 8.7299 ± 0.0004 Å
• b: 9.9984 ± 0.0005 Å
• c: 21.5918 ± 0.0011 Å
• α: 90°
• β: 91.279 ± 0.002°
• γ: 90°
• Cell volume: 1884.17 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.3217
• Weighted residual factors for all reflections included in the refinement: 0.3231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No