Information card for entry 4310632

Structure parameters

• Formula: C19 H17 Cu N3 O2
• Calculated formula: C19 H17 Cu N3 O2
• SMILES: c1ccc2C(=c3ccc[n]3[Cu]3(OC(=CC(=[O]3)C)C)n12)c1ccccn1
• 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: 9.4788 ± 0.0006 Å
• b: 9.9354 ± 0.0006 Å
• c: 35.677 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3359.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No