Information card for entry 4103812

Structure parameters

• Formula: C10 H24 Cu I N4
• Calculated formula: C10 H24 Cu I N4
• Title of publication: Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex: Lessons from the Guanidine/Amine Series
• Authors of publication: Sonja Herres-Pawlis; Pratik Verma; Roxana Haase; Peng Kang; Christopher T. Lyons; Erik C. Wasinger; Ulrich Flörke; Gerald Henkel; T. Daniel P. Stack
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1154 - 1169
• a: 17.775 ± 0.002 Å
• b: 10.7571 ± 0.0012 Å
• c: 18.0887 ± 0.0019 Å
• α: 90°
• β: 118.258 ± 0.002°
• γ: 90°
• Cell volume: 3046.5 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0358
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No