Information card for entry 4350748

Structure parameters

• Common name: [LNi3]_2(CH6N3Cl)_1.5CHCl3_1.8DMSO_6.3EtOAc_4H2O
• Formula: C134.3 H184.7 Cl6.5 N12 Ni3 O30.4 S1.8
• Calculated formula: C134.3 H176.7 Cl6.5 N12 Ni3 O30.4 S1.8
• Title of publication: Perfect encapsulation of a guanidinium ion in a helical trinickel(ii) metallocryptand for efficient regulation of the helix inversion rate
• Authors of publication: Akine, Shigehisa; Miyashita, Masato; Piao, Shunjin; Nabeshima, Tatsuya
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 53
• a: 17.831 ± 0.003 Å
• b: 21.045 ± 0.004 Å
• c: 24.615 ± 0.004 Å
• α: 106.808 ± 0.003°
• β: 108.969 ± 0.003°
• γ: 91.349 ± 0.003°
• Cell volume: 8291 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2038
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No