Information card for entry 1558003

Structure parameters

• Formula: C72 H74 K2 N2 Ni4 O14 S12
• Calculated formula: C72 H74 K2 N2 Ni4 O14 S12
• Title of publication: A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds
• Authors of publication: Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 27
• a: 13.588 ± 0.003 Å
• b: 19.062 ± 0.004 Å
• c: 16.764 ± 0.003 Å
• α: 90°
• β: 100.11 ± 0.03°
• γ: 90°
• Cell volume: 4274.7 ± 1.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No