Information card for entry 4107324

Structure parameters

• Formula: C79 H102 Cl15 N15 O20 Zn
• Calculated formula: C79 H102 Cl15 N15 O20 Zn
• Title of publication: Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion
• Authors of publication: Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 792 - 793
• a: 15.6682 ± 0.0008 Å
• b: 15.6682 ± 0.0008 Å
• c: 37.154 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7899 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.3496
• Weighted residual factors for all reflections included in the refinement: 0.3531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.66
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No