Information card for entry 7715610

Structure parameters

• Formula: C101 H117 Cl4 Co2 N18 O27.5
• Calculated formula: C101 H101 Cl4 Co2 N18 O27.5
• Title of publication: Modulated spin dynamics of [Co₂] coordination helicates <i>via</i> differential strand composition.
• Authors of publication: Barrios, Leoní A; Capó, Nuria; Boulehjour, Hanae; Reta, Daniel; Tejedor, Inés; Roubeau, Olivier; Aromí, Guillem
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7611 - 7618
• a: 22.9697 ± 0.0011 Å
• b: 18.0372 ± 0.001 Å
• c: 27.1574 ± 0.0012 Å
• α: 90°
• β: 94.966 ± 0.002°
• γ: 90°
• Cell volume: 11209.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1324
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2502
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No