Information card for entry 4332634

Structure parameters

• Formula: C74 H74 Cl2 Cu2 N6 O10 P2
• Calculated formula: C74 H74 Cl2 Cu2 N6 O10 P2
• Title of publication: Reactivity Study of a Hydroperoxodicopper(II) Complex: Hydroxylation, Dehydrogenation, and Ligand Cross-Link Reactions
• Authors of publication: Li, Lei; Sarjeant, Amy A. Narducci; Karlin, Kenneth D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7160 - 7172
• a: 18.1565 ± 0.0008 Å
• b: 14.347 ± 0.0006 Å
• c: 28.0808 ± 0.0012 Å
• α: 90°
• β: 105.608 ± 0.004°
• γ: 90°
• Cell volume: 7045.1 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No