Information card for entry 2217319

Structure parameters

• Chemical name: μ-Bromido-dibromido-bis[(4<i>S</i>)-2-(bromo/chloro)- 6-(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine]-μ-hydroxido-dicopper(II)
• Formula: C22 H27 Br3.5 Cl1.5 Cu2 N4 O3
• Calculated formula: C22 H27 Br3.5 Cl1.5 Cu2 N4 O3
• Title of publication: μ-Bromido-dibromido-μ-hydroxido-bis[(4<i>S</i>)-2-halo-6-(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine]dicopper(II) (halo: Cl/Br = 3:1)
• Authors of publication: Laungani, Andy Ch.; Keller, Manfred; Breit, Bernhard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m24 - m25
• a: 23.2485 ± 0.0005 Å
• b: 7.9862 ± 0.0001 Å
• c: 17.9187 ± 0.0004 Å
• α: 90°
• β: 119.985 ± 0.0009°
• γ: 90°
• Cell volume: 2881.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes