Information card for entry 1508048

Structure parameters

• Common name: 4b
• Formula: C36 H54 Fe N2 P3 Si
• Calculated formula: C36 H54 Fe N2 P3 Si
• SMILES: [Fe]123([P](C(C)C)(C(C)C)c4ccccc4[Si]2(c2ccccc2[P]1(C(C)C)C(C)C)c1c([P]3(C(C)C)C(C)C)cccc1)[N]#N
• Title of publication: Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.
• Authors of publication: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 558 - 565
• a: 16.085 ± 0.003 Å
• b: 17.133 ± 0.003 Å
• c: 25.58 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7049 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No