Information card for entry 7721107

Structure parameters

• Formula: C18 H18 Br2 Cu2 N2 O8 S
• Calculated formula: C18 H18 Br2 Cu2 N2 O8 S
• Title of publication: A Ligand in the Metal Salt Sea: Extreme Metal-to-Ligand Ratios and the Thermodynamic Driving Force of the Halogen Bond
• Authors of publication: Yardan, Alper
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 17.159 ± 0.004 Å
• b: 10.599 ± 0.003 Å
• c: 10.619 ± 0.003 Å
• α: 106.1 ± 0.02°
• β: 90.51 ± 0.02°
• γ: 107.93 ± 0.02°
• Cell volume: 1756 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 8.22
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No