Information card for entry 7133903

Structure parameters

• Formula: C106.75 H125.53 N9.68 Ni3 O8.85 S8
• Calculated formula: C106.756 H125.53 N9.68 Ni3 O8.849 S8
• Title of publication: Diamidocarbene-derived palladium and nickel-sulfur clusters.
• Authors of publication: Lee, Minji; Noh, Hyunju; Kim, Youngsuk
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 14.1896 ± 0.0015 Å
• b: 16.1897 ± 0.0018 Å
• c: 25.073 ± 0.002 Å
• α: 89.342 ± 0.004°
• β: 89.718 ± 0.004°
• γ: 66.28 ± 0.004°
• Cell volume: 5273 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.1185
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No