Information card for entry 7116316

Structure parameters

• Formula: C368 H502 Cl8 N48 O3 Zn8
• Calculated formula: C364 H488 N48 Zn8
• Title of publication: Step-wise induction, amplification and inversion of molecular chirality through the coordination of chiral diamines with Zn(II) bisporphyrin
• Authors of publication: Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 895
• a: 24.876 ± 0.0015 Å
• b: 13.2663 ± 0.0007 Å
• c: 26.3877 ± 0.0015 Å
• α: 90°
• β: 102.292 ± 0.002°
• γ: 90°
• Cell volume: 8508.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No