Information card for entry 1568460

Structure parameters

• Formula: C81 H90 Cl2 Ni5 S10
• Calculated formula: C81 H90 Cl2 Ni5 S10
• Title of publication: Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster.
• Authors of publication: Funaki, Sota; Kawawaki, Tokuhisa; Okada, Tomoshige; Takemae, Kana; Hossain, Sakiat; Niihori, Yoshiki; Naito, Takumi; Takagi, Makito; Shimazaki, Tomomi; Kikkawa, Soichi; Yamazoe, Seiji; Tachikawa, Masanori; Negishi, Yuichi
• Journal of publication: Nanoscale
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5201 - 5208
• a: 16.3158 ± 0.0003 Å
• b: 17.0494 ± 0.0003 Å
• c: 17.7725 ± 0.0004 Å
• α: 61.57 ± 0.001°
• β: 70.355 ± 0.001°
• γ: 68.327 ± 0.001°
• Cell volume: 3961.72 ± 0.14 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No