Information card for entry 4323570

Structure parameters

• Formula: C66 H77.5 Cl0.5 Cu2 N5 O9
• Calculated formula: C66 H65 Cl0.5 Cu2 N5 O9
• Title of publication: Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes
• Authors of publication: Daniel D. LeCloux
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4035 - 4046
• a: 22.5777 ± 0.0003 Å
• b: 12.3411 ± 0.0002 Å
• c: 23.6382 ± 0.0004 Å
• α: 90°
• β: 109.96°
• γ: 90°
• Cell volume: 6190.76 ± 0.17 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections: 0.2497
• Weighted residual factors for significantly intense reflections: 0.2165
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No