Information card for entry 8100185

Structure parameters

• Common name: zinc di-2-pyridyl ketone bromide
• Formula: C11 H8 Br2 N2 O Zn
• Calculated formula: C11 H8 Br2 N2 O Zn
• SMILES: [Zn]1(Br)(Br)[n]2ccccc2C(=O)c2[n]1cccc2
• Title of publication: Crystal structures of (di-2-pyridyl ketone)zinc dibromide and diiodide, Zn(C~11~H~8~N~2~O)X~2~ (X = Br, I)
• Authors of publication: Kanaras, Christina; Westcott, Barry L.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.; Sommerer, Shaun O.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 393 - 394
• a: 12.3 ± 0.002 Å
• b: 8.0699 ± 0.0016 Å
• c: 12.751 ± 0.003 Å
• α: 90°
• β: 103.229 ± 0.003°
• γ: 90°
• Cell volume: 1232.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No