Information card for entry 4332993

Structure parameters

• Formula: C36 H45 N6.88 O2.25 Zn
• Calculated formula: C36 H45 N6.875 O2.25 Zn
• Title of publication: Hydrogen Bonding Cavities Regulating Redox Behavior and Binding of Metal-Bound Ligands
• Authors of publication: Metteau, Laurent; Parsons, Simon; Mareque-Rivas, Juan C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6601 - 6603
• a: 21.305 ± 0.002 Å
• b: 11.459 ± 0.0011 Å
• c: 32.481 ± 0.003 Å
• α: 90°
• β: 115.455 ± 0.006°
• γ: 90°
• Cell volume: 7159.9 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No