Information card for entry 4504616

Structure parameters

• Chemical name: dibromobis(6,7-dicyanodipyridoquinoxaline)(benzene-1,3-dicarboxylate-2,4-carboxylic acid)dicopper(II) methanol solvate
• Formula: C43.7 H22.8 Br2 Cu2 N12 O9.7
• Calculated formula: C43.7 H22.8 Br2 Cu2 N12 O9.7
• 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: 12.7461 ± 0.0004 Å
• b: 14.0896 ± 0.0005 Å
• c: 23.8855 ± 0.0009 Å
• α: 90°
• β: 95.721 ± 0.001°
• γ: 90°
• Cell volume: 4268.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No