Information card for entry 4127270

Structure parameters

• Formula: C48 H100 N36 Ni8 O48.5
• Calculated formula: C48 H100 N36 Ni8 O48.5
• Title of publication: Formation of Giant and Small Cyclic Complexes from a Flexible Tripeptide Ligand Controlled by Metal Coordination and Hydrogen Bonds.
• Authors of publication: Miyake, Ryosuke; Ando, Akira; Ueno, Manami; Muraoka, Takahiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8675 - 8679
• a: 10.769 ± 0.002 Å
• b: 42.392 ± 0.009 Å
• c: 21.858 ± 0.005 Å
• α: 90°
• β: 92.984 ± 0.003°
• γ: 90°
• Cell volume: 9965 ± 4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No