Information card for entry 7701426

Structure parameters

• Formula: C88 H80 Ga2 O22
• Calculated formula: C88 H80 Ga2 O22
• Title of publication: Designed Asymmetric Coordination Helicates with bis-β-diketonate Ligands
• Authors of publication: Aromi, Guillem; Darawsheh, Mohanad; Diego, Rosa; Barrios, Leoní Alejandra; Sadurní, Anna; Garcia Gomez, Jordi; Lloyd, Paul; Teat, Simon; Roubeau, Olivier; Aguilà, David
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 16.3656 ± 0.0006 Å
• b: 23.5579 ± 0.0009 Å
• c: 19.8257 ± 0.0008 Å
• α: 90°
• β: 94.915 ± 0.002°
• γ: 90°
• Cell volume: 7615.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.6 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No