Information card for entry 4322961

Structure parameters

• Formula: C36 H50 Cl2 Cu2 N6 O8 S4
• Calculated formula: C18 H25 Cl Cu N3 O4 S2
• Title of publication: Helical Figure-of-Eight Loop Dicopper(I) Compounds: Syntheses, Structures, and Dynamics
• Authors of publication: Peter Comba; Andreas Fath; Trevor W. Hambley; Andreas Kühner; David T. Richens; Annette Vielfort
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4389 - 4401
• a: 9.364 ± 0.003 Å
• b: 23.918 ± 0.005 Å
• c: 10.15 ± 0.003 Å
• α: 90°
• β: 96.53 ± 0.02°
• γ: 90°
• Cell volume: 2258.5 ± 1.1 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0741
• Goodness-of-fit parameter for significantly intense reflections: 2.505
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No