Information card for entry 7119679

Structure parameters

• Formula: C73 H82 Cl4 Co3 N10 O26
• Calculated formula: C73 H66 Cl4 Co3 N10 O26
• Title of publication: Co(II)-induced giant vibrational CD provides a new design of methods for rapid and sensitive chirality recognition
• Authors of publication: Roberto Berardozzi; Elena Badetti; Nadia Alessandra Carmo dos Santos; Klaus Wurst; Giulia Licini; Gennaro Pescitelli; Cristiano Zonta; Lorenzo Di Bari
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8428
• a: 14.3957 ± 0.0007 Å
• b: 18.2215 ± 0.0008 Å
• c: 16.1798 ± 0.0007 Å
• α: 90°
• β: 102.476 ± 0.002°
• γ: 90°
• Cell volume: 4143.9 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No