Information card for entry 7152466

Structure parameters

• Formula: C120 H94 N12 O4 Zn2
• Calculated formula: C120 H94 N12 O4 Zn2
• Title of publication: Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.
• Authors of publication: Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 6045 - 6053
• a: 10.09 ± 0.002 Å
• b: 30.792 ± 0.006 Å
• c: 31.472 ± 0.006 Å
• α: 103.63 ± 0.03°
• β: 91.68 ± 0.03°
• γ: 93.67 ± 0.03°
• Cell volume: 9473 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1346
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2726
• Weighted residual factors for all reflections included in the refinement: 0.3072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71254 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No