Information card for entry 4504617

Structure parameters

• Chemical name: dibromo(6,7-dicyanodipyridoquinoxaline)copper(II)
• Formula: C16 H6 Br2 Cu N6
• Calculated formula: C16 H6 Br2 Cu N6
• SMILES: Br[Cu]1(Br)[n]2c3c4[n]1cccc4c1nc(c(nc1c3ccc2)C#N)C#N
• Title of publication: Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions
• Authors of publication: Stephenson, Maria D.; Hardie, Michaele J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 423
• a: 7.2358 ± 0.0014 Å
• b: 13.838 ± 0.003 Å
• c: 16.15 ± 0.003 Å
• α: 90°
• β: 99.127 ± 0.009°
• γ: 90°
• Cell volume: 1596.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No