Information card for entry 4331422

Structure parameters

• Formula: C28 H36 Br4 Cu2 N16 O2
• Calculated formula: C28 H36 Br4 Cu2 N16 O2
• Title of publication: Structural and Magnetic Studies on a Bromine-Bridged Copper(II) Dimer with 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
• Authors of publication: M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Romero; Daniel Martín
• Journal of publication: Inorganic Chemistry
• Year of publication: 1994
• Journal volume: 33
• Pages of publication: 5477 - 5481
• a: 9.614 ± 0.004 Å
• b: 12.37 ± 0.006 Å
• c: 9.645 ± 0.004 Å
• α: 99.01 ± 0.03°
• β: 60.17 ± 0.03°
• γ: 79.61 ± 0.04°
• Cell volume: 937.1 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No