Information card for entry 4350747

Structure parameters

• Common name: [LNi3]_3DMSO_H2O_5DCM_4cyclohex
• Formula: C137 H180 Cl10 N6 Ni3 O16 S3
• Calculated formula: C137.01 H180.02 Cl10.02 N6 Ni3 O16 S3
• 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: 17.168 ± 0.0006 Å
• b: 19.06 ± 0.0007 Å
• c: 25.3558 ± 0.0009 Å
• α: 67.974 ± 0.002°
• β: 83.133 ± 0.002°
• γ: 82.959 ± 0.002°
• Cell volume: 7608.9 ± 0.5 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: 0.156
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No