Information card for entry 4077485

Structure parameters

• Common name: [CuCl(coct)2]
• Chemical name: chloro-bis(cyclooctyne)copper
• Formula: C16 H24 Cl Cu
• Calculated formula: C16 H24 Cl Cu
• 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: 13.1012 ± 0.0002 Å
• b: 15.9906 ± 0.0003 Å
• c: 15.1661 ± 0.0001 Å
• α: 90°
• β: 106.166 ± 0.001°
• γ: 90°
• Cell volume: 3051.61 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No