Information card for entry 4077482

Structure parameters

• Common name: [CuCl(coct)]2
• Chemical name: bis(chloro-cyclooctyne-copper)
• Formula: C16 H24 Cl2 Cu2
• Calculated formula: C16 H24 Cl2 Cu2
• SMILES: [C]12#[C](CCCCCC1)[Cu]12[Cl][Cu]2([C]3#[C]2CCCCCC3)[Cl]1
• Title of publication: Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1
• Authors of publication: Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 3354
• a: 5.273 ± 0.001 Å
• b: 7.62 ± 0.002 Å
• c: 10.972 ± 0.002 Å
• α: 83.21 ± 0.01°
• β: 89 ± 0.02°
• γ: 82.02 ± 0.02°
• Cell volume: 433.53 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No