Information card for entry 1561250

Structure parameters

• Formula: C4 H16 Cl4 Co N2
• Calculated formula: C4 H16 Cl4 Co N2
• SMILES: [NH3+]CC.[NH3+]CC.[Co](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4
• Authors of publication: Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 431 - 440
• a: 7.6215 ± 0.0011 Å
• b: 9.7364 ± 0.0015 Å
• c: 16.983 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1260.2 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No