Information card for entry 7111289

Structure parameters

• Formula: C80 H112 N8 Pb S8
• Calculated formula: C80 H94 N8 Pb S8
• Title of publication: Structural characterisation of a red phthalocyanine
• Authors of publication: Burnham, Paul M.; Cook, Michael J.; Gerrard, Lee A.; Heeney, Martin J.; Hughes, David L.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2064
• a: 11.252 ± 0.001 Å
• b: 22.306 ± 0.008 Å
• c: 31.546 ± 0.006 Å
• α: 93.41 ± 0.03°
• β: 91.73 ± 0.01°
• γ: 90.84 ± 0.01°
• Cell volume: 7899 ± 3 ų
• Cell temperature: 140 ± 1 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: 0.1104
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No