Information card for entry 4322963

Structure parameters

• Formula: C36 H50 Cl2 Cu2 N6 O9 S4
• Calculated formula: C36 H50 Cl2 Cu2 N6 O8.671 S4
• 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: 15.039 ± 0.005 Å
• b: 17.322 ± 0.004 Å
• c: 17.85 ± 0.005 Å
• α: 90°
• β: 102.7 ± 0.02°
• γ: 90°
• Cell volume: 4536 ± 2 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0429
• Goodness-of-fit parameter for all reflections: 2.755
• Goodness-of-fit parameter for significantly intense reflections: 3.227
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No