Information card for entry 4116885

Structure parameters

• Chemical name: Zn(Cl-por).5DMSO
• Formula: C82 H78 Cl4 N12 O9 S5 Zn
• Calculated formula: C82 H78 Cl4 N12 O9 S5 Zn
• Title of publication: Neutral Ligands for Selective Chloride Anion Complexation: (α,α,α,α)-5,10,15,20-Tetrakis(2-(arylurea)phenyl)porphyrins
• Authors of publication: Raymond C. Jagessar; Maoyu Shang; W. Robert Scheidt; Dennis H. Burns
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 11684 - 11692
• a: 13.442 ± 0.003 Å
• b: 14.688 ± 0.002 Å
• c: 21.738 ± 0.007 Å
• α: 88.536 ± 0.011°
• β: 80.782 ± 0.011°
• γ: 77.716 ± 0.011°
• Cell volume: 4139.3 ± 1.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1524
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections: 0.1955
• Weighted residual factors for significantly intense reflections: 0.1572
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No