Information card for entry 4310628

Structure parameters

• Formula: C28 H20 Cu N6
• Calculated formula: C28 H20 Cu N6
• SMILES: c1ccc2C(c3ccncc3)=c3ccc[n]3[Cu]3(n12)[n]1cccc1=C(c1ccncc1)c1n3ccc1
• Title of publication: Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers
• Authors of publication: Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1242 - 1249
• a: 8.9282 ± 0.0007 Å
• b: 8.915 ± 0.0007 Å
• c: 28.113 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No