Information card for entry 4318055

Structure parameters

• Formula: C34 H46 Cl2 Cu N6 O8
• Calculated formula: C34 H46 Cl2 Cu N6 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: 8.412 ± 0.001 Å
• b: 14.536 ± 0.002 Å
• c: 15.902 ± 0.002 Å
• α: 104.76 ± 0.01°
• β: 98.98 ± 0.01°
• γ: 106.44 ± 0.01°
• Cell volume: 1748 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.342
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No