Information card for entry 7134730

Structure parameters

• Formula: C108 H108 Cl6 N24 Zn6
• Calculated formula: C108 H108 Cl6 N24 Zn6
• Title of publication: Parahydrogen-induced hyperpolarization of a Zn(II) complex using NMR signal amplification by reversible exchange (SABRE).
• Authors of publication: Kim, Jisu; Jeong, Hye Jin; Min, Sein; Kim, Sarah; Baek, Juhee; Kim, Jaelim; Lee, Eunsung; Oh, Sangwon; Jeong, Keunhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 59
• Pages of publication: 11061 - 11064
• a: 15.458 ± 0.003 Å
• b: 19.827 ± 0.004 Å
• c: 22.137 ± 0.004 Å
• α: 97.02 ± 0.03°
• β: 106.2 ± 0.03°
• γ: 99.82 ± 0.03°
• Cell volume: 6316 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0916
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No