Information card for entry 4105766

Structure parameters

• Formula: C43 H69 Fe3 N7 Si3
• Calculated formula: C43 H69 Fe3 N7 Si3
• SMILES: [Fe]12345[Fe]6789[Fe]%10%111([N]7(C1CC([N]26c2ccccc2N4[Si](C)(C)C(C)(C)C)CC([N]3%10c2ccccc2N%11[Si](C)(C)C(C)(C)C)C1)c1ccccc1N8[Si](C)(C)C(C)(C)C)[N]59C
• Title of publication: Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]-
• Authors of publication: Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3336 - 3338
• a: 10.057 ± 0.002 Å
• b: 11.562 ± 0.003 Å
• c: 20.327 ± 0.004 Å
• α: 82.832 ± 0.004°
• β: 89.866 ± 0.004°
• γ: 89.039 ± 0.004°
• Cell volume: 2344.8 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.2186
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No