Information card for entry 4113284

Structure parameters

• Formula: C36 H44 B2 Cu2 F8 N8 O8
• Calculated formula: C36 H44 B2 Cu2 F8 N8 O8
• Title of publication: Selection Rules for Helicate Ligand Component Self-Assembly: Steric, pH, Charge, and Solvent Effects
• Authors of publication: Jonathan R. Nitschke; David Schultz; Gérald Bernardinelli; David Gérard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16538 - 16543
• a: 12.5079 ± 0.0007 Å
• b: 18.8569 ± 0.0012 Å
• c: 17.9012 ± 0.0009 Å
• α: 90°
• β: 92.2 ± 0.006°
• γ: 90°
• Cell volume: 4219.1 ± 0.4 ų
• Cell temperature: 200 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No