Information card for entry 4326895

Structure parameters

• Formula: C68 H110 B Fe N O2 P3
• Calculated formula: C68 H110 B Fe N O2 P3
• Title of publication: A Five-Coordinate Phosphino/Acetate Iron(II) Scaffold That Binds N2, N2H2, N2H4, and NH3 in the Sixth Site
• Authors of publication: Caroline T. Saouma; Curtis E. Moore; Arnold L. Rheingold; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11285 - 11287
• a: 14.5464 ± 0.0009 Å
• b: 27.6742 ± 0.0018 Å
• c: 17.346 ± 0.0011 Å
• α: 90°
• β: 112.196 ± 0.001°
• γ: 90°
• Cell volume: 6465.4 ± 0.7 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No