Information card for entry 7107558

Structure parameters

• Common name: 1.DPEA
• Formula: C92 H96 Cl6 N10 O Zn2
• Calculated formula: C92 H96 Cl6 N10 O Zn2
• Title of publication: Induction of supramolecular chirality in di-zinc(II) bisporphyrin via tweezer formation: synthesis, structure and rationalization of chirality
• Authors of publication: Sanfaori Brahma; Sk. Asif Ikbal; Soumyajit Dey; Sankar Prasad Rath
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4070
• a: 25.188 ± 0.005 Å
• b: 14.481 ± 0.003 Å
• c: 23.119 ± 0.004 Å
• α: 90°
• β: 101.694 ± 0.003°
• γ: 90°
• Cell volume: 8258 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No