Information card for entry 4115696

Structure parameters

• Formula: C72.5 H111.5 Fe2 K2 N6
• Calculated formula: C72.5 H111.5 Fe2 K2 N6
• Title of publication: Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex
• Authors of publication: Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 9222 - 9223
• a: 12.7419 ± 0.0011 Å
• b: 12.8655 ± 0.0011 Å
• c: 24.353 ± 0.002 Å
• α: 89.487 ± 0.002°
• β: 89.11 ± 0.002°
• γ: 65.817 ± 0.001°
• Cell volume: 3641.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1602
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No