Information card for entry 7133942

Structure parameters

• Formula: C6 Cl4 Co N2 O2
• Calculated formula: C6 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; García-Ben, Javier; Ferradanes-Martínez, Angel; Gelpi, María; Walker, Julian; McMonagle, Charles James; Castro-García, Socorro; Señarís-Rodríguez, María Antonia; Bermúdez-García, Juan Manuel; Sánchez-Andújar, Manuel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 95
• Pages of publication: 14065 - 14068
• a: 12.2008 ± 0.0006 Å
• b: 8.7001 ± 0.0004 Å
• c: 15.4434 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1639.29 ± 0.14 ų
• Cell temperature: 355 K
• Ambient diffraction temperature: 355 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1534
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.3177
• Weighted residual factors for all reflections included in the refinement: 0.3578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.594
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No