Information card for entry 4126393

Structure parameters

• Formula: C36 H36 Cl2 Cu2 N10 O10
• Calculated formula: C36 H36 Cl1.9988 Cu2 N10 O9.9952
• Title of publication: Copper(I)/NO(g) Reductive Coupling Producing a trans-Hyponitrite Bridged Dicopper(II) Complex: Redox Reversal Giving Copper(I)/NO(g) Disproportionation.
• Authors of publication: Wijeratne, Gayan B.; Hematian, Shabnam; Siegler, Maxime A.; Karlin, Kenneth D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 24.2966 ± 0.0002 Å
• b: 24.2966 ± 0.0002 Å
• c: 18.34987 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9381.12 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No