Information card for entry 7248043

Structure parameters

• Formula: C14 H28 Cl4 Co N2
• Calculated formula: C14 H28 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH+]12CCC(CC1)CC2.[NH+]12CCC(CC1)CC2
• Title of publication: Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions
• Authors of publication: Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 439 - 451
• a: 9.4413 ± 0.0003 Å
• b: 12.1521 ± 0.0005 Å
• c: 16.2434 ± 0.0007 Å
• α: 90°
• β: 93.569 ± 0.001°
• γ: 90°
• Cell volume: 1860.02 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No