Information card for entry 7156221

Structure parameters

• Formula: C103 H109 N9 Ni O S2 Zn
• Calculated formula: C103 H109 N9 Ni O S2 Zn
• Title of publication: Push-pull quinoidal porphyrins.
• Authors of publication: Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3648 - 3654
• a: 14.218 ± 0.005 Å
• b: 20.122 ± 0.006 Å
• c: 21.975 ± 0.007 Å
• α: 69.445 ± 0.003°
• β: 72.044 ± 0.003°
• γ: 82.393 ± 0.003°
• Cell volume: 5598 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1556
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.278
• Weighted residual factors for all reflections included in the refinement: 0.3328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.6932 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No