Information card for entry 4101450

Structure parameters

• Formula: C79 H93 B2 F24 Fe N3 O2 P2
• Calculated formula: C52.6667 H63.3333 B1.33333 F16 Fe0.666667 N2 O1.33333 P1.33333
• Title of publication: Characterization of the terminal iron(IV) imides [[PhBP(t)(Bu)2(pz')]Fe(IV)NAd]+.
• Authors of publication: Thomas, Christine M; Mankad, Neal P; Peters, Jonas C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 15
• Pages of publication: 4956 - 4957
• a: 19.438 ± 0.017 Å
• b: 18.86 ± 0.02 Å
• c: 22.418 ± 0.017 Å
• α: 90°
• β: 99.66 ± 0.05°
• γ: 90°
• Cell volume: 8104 ± 14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No