Information card for entry 7104382

Structure parameters

• Formula: C58 H52 B2 Cl4 F4 N8 Zn
• Calculated formula: C58 H52 B2 Cl4 F4 N8 Zn
• SMILES: Cc1ccc2C(=c3ccc(C)[n]3[B](n12)(F)F)c1ccc(cc1)C1=c2ccc(C)[n]2[Zn]2(n3c1ccc3C)[n]1c(C)ccc1=C(c1ccc(C3=c4ccc(C)[n]4[B](n4c3ccc4C)(F)F)cc1)c1ccc(C)n21.C(Cl)Cl.C(Cl)Cl
• 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: 10.7063 ± 0.0011 Å
• b: 14.4785 ± 0.0012 Å
• c: 19.1263 ± 0.0018 Å
• α: 70.425 ± 0.004°
• β: 78.184 ± 0.004°
• γ: 86.994 ± 0.004°
• Cell volume: 2733.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No