Information card for entry 1573257

Structure parameters

• Formula: C32 H60 N Ni S8
• Calculated formula: C32 H60 N Ni S8
• Title of publication: Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes†
• Authors of publication: Abhervé, Alexandre; Mroweh, Nabil; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany, Pere; Canadell, Enric; Avarvari, Narcis
• Journal of publication: Nanoscale
• Year of publication: 2024
• a: 14.6673 ± 0.0005 Å
• b: 17.9434 ± 0.0003 Å
• c: 16.4154 ± 0.0005 Å
• α: 90°
• β: 115.109 ± 0.004°
• γ: 90°
• Cell volume: 3912 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No