Information card for entry 7049340

Structure parameters

• Formula: C66 H68 Cl2 F Fe N4 P4
• Calculated formula: C66 H68 Cl2 F Fe N4 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: 24.6354 ± 0.0017 Å
• b: 9.6299 ± 0.0006 Å
• c: 24.8317 ± 0.0016 Å
• α: 90°
• β: 96.409 ± 0.005°
• γ: 90°
• Cell volume: 5854.2 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No