Information card for entry 7028152

Structure parameters

• Formula: C40.5 H46 Cl2 Cu2 N4 O11.5 S4
• Calculated formula: C40.25 H46 Cl2 Cu2 N4 O11.25 S4
• Title of publication: Copper(I) complexes of dinucleating macrocyclic bis(dithiadiimine) ligands
• Authors of publication: Wei, Gang; Lawrance, Geoffrey A.; Richens, David T.; Hambley, Trevor W.; Turner, Peter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 4
• Pages of publication: 623
• a: 8.509 ± 0.006 Å
• b: 9.844 ± 0.004 Å
• c: 29.776 ± 0.005 Å
• α: 90°
• β: 95.73 ± 0.04°
• γ: 90°
• Cell volume: 2482 ± 2 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1682
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0652
• Goodness-of-fit parameter for all reflections: 2.44
• Goodness-of-fit parameter for significantly intense reflections: 3.424
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No