Information card for entry 7049342

Structure parameters

• Formula: C93 H76 B F24 Fe N4 O P4
• Calculated formula: C93 H76 B F24 Fe N4 O P4
• Title of publication: Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines.
• Authors of publication: Liao, Qian; Liu, Tianbiao; Johnson, Samantha I.; Klug, Christina M.; Wiedner, Eric S.; Morris Bullock, R.; DuBois, Daniel L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4867 - 4878
• a: 17.627 ± 0.0013 Å
• b: 13.4966 ± 0.0009 Å
• c: 37.96 ± 0.003 Å
• α: 90°
• β: 91.998 ± 0.003°
• γ: 90°
• Cell volume: 9025.4 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No