Information card for entry 1551506

Structure parameters

• Formula: C8 H24 N6 O4 Zn
• Calculated formula: C8 H24 N6 O4 Zn
• SMILES: [Zn]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: 9.0184 ± 0.0008 Å
• b: 13.0497 ± 0.0011 Å
• c: 13.4511 ± 0.0012 Å
• α: 70.619 ± 0.009°
• β: 71.953 ± 0.008°
• γ: 71.335 ± 0.009°
• Cell volume: 1377.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0923
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No