Information card for entry 1551513

Structure parameters

• Formula: C8 H12 D12 N6 Ni O4
• Calculated formula: C8 H12 D12 N6 Ni O3.9996
• Title of publication: Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
• Authors of publication: Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 1079 - 1083
• a: 8.882 ± 0.009 Å
• b: 8.882 ± 0.009 Å
• c: 10.504 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 717.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No