Information card for entry 7133941

Structure parameters

• Formula: C6 H20 Cl4 Co N2 O2
• Calculated formula: C6 H20 Cl4 Co N2 O2
• Title of publication: Exploring the effect of pressure on the crystal structure and caloric properties of the molecular ionic hybrid [(CH3)3NOH]2[CoCl4]
• Authors of publication: Dafonte-Rodríguez, Pedro; Delgado-Ferreiro, Ignacio; Garcia Ben, Javier; Ferradanes Martínez, Ángel; Gelpi, María; Walker, Julian; McMonagle, Charles J.; Castro-Garcia, Socorro; Señarís-Rodríguez, Maria Antonia; Bermúdez-García, Juan Manuel; Sánchez-Andújar, Manuel
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 8.4749 ± 0.0006 Å
• b: 12.0762 ± 0.0008 Å
• c: 15.04 ± 0.001 Å
• α: 90°
• β: 100.772 ± 0.002°
• γ: 90°
• Cell volume: 1512.14 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No