Information card for entry 7116174

Structure parameters

• Formula: C316.5 H366 N93 O111 Pd12
• Calculated formula: C316.5 H366 N93 O111 Pd12
• Title of publication: A self-assembled, π-stacked complex as a finely-tunable magnetic aligner for biomolecular NMR applications.
• Authors of publication: Sato, Sota; Takeuchi, Ryosuke; Yagi-Utsumi, Maho; Yamaguchi, Takumi; Yamaguchi, Yoshiki; Kato, Koichi; Fujita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 13
• Pages of publication: 2540 - 2543
• a: 23.379 ± 0.003 Å
• b: 27.15 ± 0.003 Å
• c: 43.649 ± 0.005 Å
• α: 107.717 ± 0.001°
• β: 92.383 ± 0.002°
• γ: 103.95 ± 0.002°
• Cell volume: 25415 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2795
• Residual factor for significantly intense reflections: 0.1695
• Weighted residual factors for significantly intense reflections: 0.4435
• Weighted residual factors for all reflections included in the refinement: 0.4931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.502
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No