Information card for entry 4504620

Structure parameters

• Chemical name: dibromobis(6,7-dicyanodipyridoquinoxaline)copper(II) bromobis(6,7-dicyanodipyridoquinoxaline)copper(II) bromide hydrate acetonitrile solvate
• Formula: C66 H31 Br4 Cu2 N25 O2
• Calculated formula: C66 H27 Br4 Cu2 N25 O2
• 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: 22.9779 ± 0.0003 Å
• b: 11.8038 ± 0.0002 Å
• c: 24.2001 ± 0.0003 Å
• α: 90°
• β: 96.12°
• γ: 90°
• Cell volume: 6526.3 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No