Information card for entry 4318054

Structure parameters

• Formula: C38 H52 Cl2 N8 Ni O8
• Calculated formula: C38 H52 Cl2 N8 Ni O8
• Title of publication: Intramolecular Electronic Energy Transfer in Bichromophoric Macrocyclic Complexes
• Authors of publication: Paul V. Bernhardt; Evan G. Moore; Mark J. Riley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3025 - 3031
• a: 12.735 ± 0.002 Å
• b: 8.2791 ± 0.0007 Å
• c: 20.136 ± 0.002 Å
• α: 90°
• β: 104.81 ± 0.01°
• γ: 90°
• Cell volume: 2052.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2782
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2871
• Weighted residual factors for all reflections included in the refinement: 0.3834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No