Information card for entry 7248046

Structure parameters

• Formula: C7 H18 Cl4 Co N2 O
• Calculated formula: C7 H18 Cl4 Co N2 O
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].O.[NH+]12CCC(C([NH3+])C1)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: 6.5731 ± 0.0015 Å
• b: 16.213 ± 0.004 Å
• c: 13.002 ± 0.003 Å
• α: 90°
• β: 91.784 ± 0.007°
• γ: 90°
• Cell volume: 1384.9 ± 0.6 ų
• Cell temperature: 301 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No