Information card for entry 7721111

Structure parameters

• Formula: C9 H9 Br Cu N2 O5
• Calculated formula: C9 H9 Br Cu N2 O5
• 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: 11.122 ± 0.005 Å
• b: 10.569 ± 0.004 Å
• c: 6.673 ± 0.002 Å
• α: 94.65 ± 0.03°
• β: 100.52 ± 0.02°
• γ: 76.57 ± 0.05°
• Cell volume: 749.5 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 2.76
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No