Information card for entry 4343280

Structure parameters

• Formula: C57 H75 Br1.77 Fe2.91 N8.2
• Calculated formula: C57.02 H75.06 Br1.77 Fe2.91 N8.2
• Title of publication: Nitride-Bridged Triiron Complex and Its Relevance to Dinitrogen Activation.
• Authors of publication: Ermert, David M.; Gordon, Jesse B.; Abboud, Khalil A.; Murray, Leslie J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9282 - 9289
• a: 12.6474 ± 0.0006 Å
• b: 13.2743 ± 0.0006 Å
• c: 16.6488 ± 0.0008 Å
• α: 76.0169 ± 0.0008°
• β: 85.966 ± 0.0008°
• γ: 84.3071 ± 0.0009°
• Cell volume: 2695.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No