Information card for entry 7104380

Structure parameters

• Formula: C58 H50 B2 Cl6 F4 N8 Ni
• Calculated formula: C58 H50 B2 Cl6 F4 N8 Ni
• SMILES: Cc1ccc2C(=c3ccc(C)[n]3[B](n12)(F)F)c1ccc(cc1)C1=c2ccc(C)[n]2[Ni]2(n3c1ccc3C)[n]1c(C)ccc1=C(c1ccc(C3=c4ccc(C)[n]4[B](n4c3ccc4C)(F)F)cc1)c1ccc(C)n21.C(Cl)(Cl)Cl.C(Cl)(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: 10.84 ± 0.001 Å
• b: 14.501 ± 0.002 Å
• c: 19.83 ± 0.002 Å
• α: 109.761 ± 0.006°
• β: 104.839 ± 0.006°
• γ: 93.027 ± 0.006°
• Cell volume: 2802.2 ± 0.5 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: 0.1281
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No