Information card for entry 7716423

Structure parameters

• Formula: C27 H23 Cl N4 Pd
• Calculated formula: C27 H23 Cl N4 Pd
• Title of publication: Modulating the aggregation of human prion protein PrP_106-126 by an indole-based cyclometallated palladium complex.
• Authors of publication: Chauhan, Rahul; Navale, Govinda R.; Saini, Saakshi; Panwar, Abhishek; Kukreti, Prashant; Saini, Rajat; Roy, Partha; Ghosh, Kaushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 11995 - 12006
• a: 15.4895 ± 0.0003 Å
• b: 9.3366 ± 0.0002 Å
• c: 16.3909 ± 0.0003 Å
• α: 90°
• β: 106.175 ± 0.001°
• γ: 90°
• Cell volume: 2276.61 ± 0.08 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No