Information card for entry 7107013

Structure parameters

• Formula: C50 H32 N O15 Zn4
• Calculated formula: C50 H32 N O15 Zn4
• Title of publication: Application of a chiral metal-organic framework in enantioselective separation
• Authors of publication: Mohan Padmanaban; Philipp Muller; Christian Lieder; Kristina Gedrich; Ronny Grunker; Volodymyr Bon; Irena Senkovska; Sandra Baumgartner; Sabine Opelt; Silvia Paasch; Eike Brunner; Frank Glorius; Elias Klemm; Stefan Kaskel
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12089
• a: 41.459 ± 0.006 Å
• b: 41.459 ± 0.006 Å
• c: 17.561 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26141 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No