Information card for entry 4502327

Structure parameters

• Formula: C62 H50 B2 F8 Fe N14 O6
• Calculated formula: C62 H50 B2 F8 Fe N14 O6
• Title of publication: Supramolecular Architectures of Metal Complexes Controlled by a Strong π···π Stacking, 1,8-Naphthalimide Functionalized Third Generation Tris(pyrazolyl)methane Ligand
• Authors of publication: Reger, Daniel L.; Sirianni, Eric; Horger, Jacob J.; Smith, Mark D.; Semeniuc, Radu F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 386
• a: 19.8574 ± 0.0009 Å
• b: 20.9036 ± 0.001 Å
• c: 14.9561 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6208.1 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No