Information card for entry 2012756

Structure parameters

• Formula: C120 H140 N4 O32 Zn
• Calculated formula: C120 H140 N4 O32 Zn
• SMILES: n12c3=C(c4[n]5c(=C(c6n7c(=C(c8[n](c(=C(c1cc3)c1ccc(cc1)O)cc8)[Zn]257)c1ccc(cc1)O)cc6)c1ccc(cc1)O)cc4)c1ccc(cc1)O.OC.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1.O1c2ccccc2OCCOCCOCCOc2ccccc2OCCOCCOCC1.OC.OC.OC
• Title of publication: Hydrogen-bonded supramolecular lattice of the 1:3:4 complex between [5,10,15,20-<i>meso</i>-tetrakis(4-hydroxyphenyl)porphyrinato-κ^4^<i>N</i>]zinc(II), dibenzo-24-crown-8 and methanol
• Authors of publication: Yael Diskin-Posner; Goutam Kumar Patra; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m344 - m346
• a: 10.2643 ± 0.0003 Å
• b: 13.4878 ± 0.0004 Å
• c: 21.1227 ± 0.0008 Å
• α: 86.2858 ± 0.001°
• β: 77.9955 ± 0.0013°
• γ: 73.932 ± 0.003°
• Cell volume: 2748.51 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes