Information card for entry 4326893

Structure parameters

• Formula: C118 H210 B2 Fe2 N2 O7 P6
• Calculated formula: C118 H210 B2 Fe2 N2 O7 P6
• 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: 14.1982 ± 0.0003 Å
• b: 15.5521 ± 0.0003 Å
• c: 15.631 ± 0.0003 Å
• α: 114.523 ± 0.001°
• β: 107.331 ± 0.001°
• γ: 91.174 ± 0.001°
• Cell volume: 2956.03 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No