Information card for entry 7134094

Structure parameters

• Formula: C108 H103 N12 Ni2 O8 S8
• Calculated formula: C108 H103 N12 Ni2 O8 S8
• Title of publication: A biocompatible Ni(II) complex as an amyloid sensor for human PrP_106-126 fibrillar aggregates.
• Authors of publication: Saini, Rajat; Chauhan, Rahul; Singh, Sain; Saini, Saakshi; Navale, Govinda R.; Panwar, Abhishek; Kukreti, Prashant; Ahmed, Imtiaz; Roy, Partha; Ghosh, Kaushik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 9
• Pages of publication: 1862 - 1865
• a: 13.4171 ± 0.0006 Å
• b: 15.9626 ± 0.0008 Å
• c: 26.6148 ± 0.0012 Å
• α: 89.991 ± 0.001°
• β: 89.989 ± 0.001°
• γ: 103.052 ± 0.001°
• Cell volume: 5552.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No