Information card for entry 4334368

Structure parameters

• Formula: C16 H42 Br Fe N P4
• Calculated formula: C16 H42 Br Fe N P4
• SMILES: [FeH]12(Br)([P](CC)(CC)CN(C)C[P]1(CC)CC)[P](C)(C)C[P]2(C)C
• Title of publication: Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine
• Authors of publication: Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4026 - 4039
• a: 16.431 ± 0.002 Å
• b: 19.339 ± 0.003 Å
• c: 7.6498 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2430.8 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No