Information card for entry 7121309

Structure parameters

• Formula: C37.5 H65 B Br Cl3 Ni O2 P2 S
• Calculated formula: C37.5 H62 B Br Cl3 Ni O2 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: 8.752 ± 0.013 Å
• b: 21.67 ± 0.03 Å
• c: 22.43 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4254 ± 10 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No