Information card for entry 1551508

Structure parameters

• Formula: C8 H23.5 N6 Ni O4
• Calculated formula: C8 H24 N6 Ni O4
• SMILES: [Ni]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O=C([O-])C(=O)[O-]
• 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: 9.257 ± 0.002 Å
• b: 14.963 ± 0.003 Å
• c: 9.967 ± 0.002 Å
• α: 90°
• β: 94.028 ± 0.005°
• γ: 90°
• Cell volume: 1377.1 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No