Information card for entry 7115919

Structure parameters

• Formula: C96 H112 Mg2 N8 O4 S
• Calculated formula: C96 H112 Mg2 N8 O4 S
• Title of publication: Transfer and control of molecular chirality in the 1 : 2 host-guest supramolecular complex consisting of Mg(II)bisporphyrin and chiral diols: the effect of H-bonding on the rationalization of chirality
• Authors of publication: Sk. Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14037
• a: 13.6073 ± 0.0011 Å
• b: 24.816 ± 0.002 Å
• c: 25.86 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8732.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No