Information card for entry 7103619

Structure parameters

• Common name: Zn phthalocyanine coordination polymer
• Chemical name: 1,4-Dibutoxy-2,3-di(pyridyl)-8,11,15,18,22,25-hexakis(hexyl)- phthalocyaninato zinc
• Formula: C86 H110 N10 O2 Zn
• Calculated formula: C86 H89.75 N10 O2 Zn
• Title of publication: 1,4-dibutoxy-2,3-di(4-pyridyl)-8,11,15,18,22,25-hexakis(hexyl)- phthalocyaninato zinc, a self-assembled coordination polymer in the solid state.
• Authors of publication: al-Raqa, Shaya Y; Cook, Michael J; Hughes, David L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 62 - 63
• a: 19.979 ± 0.004 Å
• b: 27.995 ± 0.009 Å
• c: 28.253 ± 0.008 Å
• α: 98.52 ± 0.02°
• β: 90.19 ± 0.01°
• γ: 92.27 ± 0.02°
• Cell volume: 15615 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.216
• Residual factor for significantly intense reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.3307
• Weighted residual factors for all reflections included in the refinement: 0.3456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.619
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No