Information card for entry 7104377

Structure parameters

• Formula: C54 H44 B2 Cl4 Cu F4 N8
• Calculated formula: C52 H40 B2 Cu F4 N8
• SMILES: [B]1(F)(F)[n]2c(C)ccc2=C(c2n1c(C)cc2)c1ccc(cc1)C1=c2[n](ccc2)[Cu]2([n]3cccc3=C(c3ccc(C4=c5ccc(C)[n]5[B](F)(F)n5c4ccc5C)cc3)c3n2ccc3)n2c1ccc2
• Title of publication: Self-assembly of oligomeric linear dipyrromethene metal complexes.
• Authors of publication: Miao, Qing; Shin, Ji-Young; Patrick, Brian O; Dolphin, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 2541 - 2543
• a: 22.128 ± 0.005 Å
• b: 8.5689 ± 0.0018 Å
• c: 27.299 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5176 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No