Information card for entry 7121312

Structure parameters

• Formula: C37 H59 I Ni P2 S
• Calculated formula: C37 H59 I 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: 8.481 ± 0.011 Å
• b: 11.052 ± 0.015 Å
• c: 21.03 ± 0.03 Å
• α: 96.001 ± 0.014°
• β: 91.24 ± 0.03°
• γ: 101.865 ± 0.019°
• Cell volume: 1917 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No