Information card for entry 4111217

Structure parameters

• Formula: C87 H78 Cl2 Cu N7 P2 S2 Zn
• Calculated formula: C87 H78 Cl2 Cu N7 P2 S2 Zn
• Title of publication: Supramolecular Allosteric Cofacial Porphyrin Complexes
• Authors of publication: Christopher G. Oliveri; Nathan C. Gianneschi; SonBinh T. Nguyen; Chad A. Mirkin; Charlotte L. Stern; Zdzislaw Wawrzak; Maren Pink
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16286 - 16296
• a: 13.283 ± 0.003 Å
• b: 17.34 ± 0.004 Å
• c: 22.33 ± 0.005 Å
• α: 89.34 ± 0.03°
• β: 89.58 ± 0.03°
• γ: 73.3 ± 0.03°
• Cell volume: 4926 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No