Information card for entry 7107559

Structure parameters

• Common name: 1.CHDA
• Formula: C164 H182 N20 O2 Zn4
• Calculated formula: C164 H182 N20 O2 Zn4
• 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: 24.136 ± 0.005 Å
• b: 13.526 ± 0.005 Å
• c: 24.539 ± 0.005 Å
• α: 90 ± 0.005°
• β: 116.872 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7146 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No