Information card for entry 7017017

Structure parameters

• Formula: C87 H106 Cl2 N8 O9 Zn
• Calculated formula: C87 H108.08 Cl2 N8 O9.04 Zn
• Title of publication: Complexes of aryl-substituted porphyrins and naphthalenediimide (NDI): investigations by synchrotron X-ray diffraction and NMR spectroscopy.
• Authors of publication: Tong, Lok H.; Pengo, Paolo; Clegg, William; Lowe, John P.; Raithby, Paul R.; Sanders, Jeremy K. M.; Pascu, Sofia I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10833 - 10842
• a: 15.952 ± 0.006 Å
• b: 9.578 ± 0.004 Å
• c: 27.437 ± 0.01 Å
• α: 90°
• β: 93.065 ± 0.006°
• γ: 90°
• Cell volume: 4186 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2164
• Residual factor for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections: 0.2266
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1586
• Diffraction radiation wavelength: 0.6775 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No