Information card for entry 4117019

Structure parameters

• Formula: C60 H60 N4 O16 Zn
• Calculated formula: C60 H60 N4 O16 Zn
• SMILES: c1c2=C(c3c(cccc3O)O)c3ccc4=C(c5ccc6n5[Zn]5([n]7c(=C6c6c(cccc6O)O)ccc7C(=c(c1)n25)c1c(cccc1O)O)[n]34)c1c(cccc1O)O.CC(=O)OCC.CC(=O)OCC.CC(=O)OCC.CC(=O)OCC
• Title of publication: Hydrogen-Bonded Porphyrinic Solids: Supramolecular Networks of Octahydroxy Porphyrins
• Authors of publication: P. Bhyrappa; Scott R. Wilson; Kenneth S. Suslick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 8492 - 8502
• a: 10.599 ± 0.003 Å
• b: 11.301 ± 0.004 Å
• c: 12.535 ± 0.006 Å
• α: 85.7 ± 0.04°
• β: 70.19 ± 0.04°
• γ: 79.15 ± 0.03°
• Cell volume: 1387.2 ± 1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 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: 0.1498
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections: 0.2977
• Weighted residual factors for significantly intense reflections: 0.2515
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No