Information card for entry 4101680

Structure parameters

• Formula: C72 H82 B2 Fe N12
• Calculated formula: C72 H82 B2 Fe N12
• Title of publication: Magnetic observation of anion binding in iron coordination complexes: toward spin-switching chemosensors.
• Authors of publication: Ni, Zhaoping; Shores, Matthew P
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 1
• Pages of publication: 32 - 33
• a: 13.4698 ± 0.0004 Å
• b: 18.017 ± 0.0005 Å
• c: 13.9282 ± 0.0004 Å
• α: 90°
• β: 115.011 ± 0.001°
• γ: 90°
• Cell volume: 3063.2 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No