Information card for entry 7121310

Structure parameters

• Formula: C76 H104 Ni2 O2 P4 S2
• Calculated formula: C76 H104 Ni2 O2 P4 S2
• 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: 48.534 ± 0.008 Å
• b: 12.095 ± 0.002 Å
• c: 26.019 ± 0.005 Å
• α: 90°
• β: 110.276 ± 0.004°
• γ: 90°
• Cell volume: 14327 ± 4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No