Information card for entry 7126929

Structure parameters

• Formula: C12 H24 Co N10 Na O
• Calculated formula: C12 H24 Co N10 Na O
• Title of publication: A large room-temperature entropy change in a new hybrid ferroelastic with an unconventional bond-switching mechanism.
• Authors of publication: Xu, Wei-Jian; Zeng, Ying; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 69
• Pages of publication: 10054 - 10057
• a: 8.3357 ± 0.0002 Å
• b: 12.4689 ± 0.0003 Å
• c: 18.5938 ± 0.0004 Å
• α: 90°
• β: 90.564 ± 0.002°
• γ: 90°
• Cell volume: 1932.49 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No