Information card for entry 7121308

Structure parameters

• Formula: C30 H50 Ni P2 S
• Calculated formula: C30 H50 Ni P2 S
• Title of publication: Synthesis, crystal structure and reactivity of η²-thiophyne Ni complexes.
• Authors of publication: Terada, Misaki; Nishii, Yuji; Miura, Masahiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 2918 - 2921
• a: 9.911 ± 0.0016 Å
• b: 16.711 ± 0.003 Å
• c: 18.048 ± 0.002 Å
• α: 90 ± 0.011°
• β: 92.402 ± 0.01°
• γ: 90 ± 0.008°
• Cell volume: 2986.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1856
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No