Information card for entry 4502330

Structure parameters

• Formula: C70 H64 B2 Cu F8 N17 O6.5
• Calculated formula: C70 H64 B2 Cu F8 N17 O6.5
• 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: 29.3169 ± 0.0016 Å
• b: 9.5421 ± 0.0005 Å
• c: 26.2643 ± 0.0014 Å
• α: 90°
• β: 108.627 ± 0.001°
• γ: 90°
• Cell volume: 6962.4 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No