Information card for entry 7204309

Structure parameters

• Formula: C65 H70.5 N6.5 Zn
• Calculated formula: C65.5 H62 N6 Zn
• Title of publication: Making conjugated connections to porphyrins: a comparison of alkyne, alkene, imine and azo links
• Authors of publication: Screen, Thomas E. O.; Blake, Iain M.; Rees, Leigh H.; Clegg, William; Borwick, Simon J.; Anderson, Harry L.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 320
• a: 15.0697 ± 0.0008 Å
• b: 19.5369 ± 0.001 Å
• c: 20.9405 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6165.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2025
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.6883 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No