Information card for entry 1506739

Structure parameters

• Formula: C154 H175 Cl3 N10 O3 Zn2
• Calculated formula: C154 H175 Cl3 N10 O3 Zn2
• Title of publication: Synthesis, crystal structure, and nonlinear optical behavior of beta-unsubstituted meso-meso E-vinylene-linked porphyrin dimers.
• Authors of publication: Frampton, Michael J.; Akdas, Huriye; Cowley, Andrew R.; Rogers, Joy E.; Slagle, Jonathan E.; Fleitz, Paul A.; Drobizhev, Mikhail; Rebane, Aleksander; Anderson, Harry L.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5365 - 5368
• a: 10.3948 ± 0.0002 Å
• b: 13.8919 ± 0.0002 Å
• c: 25.1936 ± 0.0003 Å
• α: 90.6016 ± 0.0004°
• β: 91.8742 ± 0.0004°
• γ: 97.9594 ± 0.0005°
• Cell volume: 3600.65 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No