Information card for entry 8105315

Structure parameters

• Formula: C28 H25 Br2 Cd N8 O2.5
• Calculated formula: C28 H24 Br2 Cd N8 O2.5
• Title of publication: Crystal structure of bis(3-bromo-N-(1-(3-methylpyrazin-2-yl)ethylidene)benzohydrazonato-κ3 O,N,N′)cadmium(II) hemihydrate, C28H25N8O2.5Br2Cd
• Authors of publication: Guo, Yi-Peng; Liu, Xiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 873 - 874
• a: 8.7233 ± 0.0016 Å
• b: 11.655 ± 0.002 Å
• c: 15.374 ± 0.003 Å
• α: 82.225 ± 0.004°
• β: 86.125 ± 0.003°
• γ: 76.3 ± 0.003°
• Cell volume: 1503.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No