Information card for entry 4077488

Structure parameters

• Common name: [Cu2Br2(coct)(tmtch)]n
• Chemical name: dibromo(cyclooctyne)(3,3,6,6-tetramethyl-1-thia-cycloheptyne)dicopper polymer
• Formula: C18 H28 Br2 Cu2 S
• Calculated formula: C18 H28 Br2 Cu2 S
• 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: 13.405 ± 0.003 Å
• b: 11.605 ± 0.002 Å
• c: 14.831 ± 0.003 Å
• α: 90°
• β: 110.06 ± 0.03°
• γ: 90°
• Cell volume: 2167.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No