Information card for entry 7701299

Structure parameters

• Formula: C49 H54.75 Li N31 Ni6 O10.38
• Calculated formula: C49 H54 Li N31 Ni6 O10.375
• Title of publication: Lithium cations in a self-assembled electrostatic nanocapsule
• Authors of publication: Escuer, Albert; Mayans, Julia; Font-Bardia, Merce
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 16.987 ± 0.0009 Å
• b: 18.1041 ± 0.0009 Å
• c: 23.7797 ± 0.0012 Å
• α: 95.64 ± 0.002°
• β: 99.05 ± 0.002°
• γ: 99.754 ± 0.002°
• Cell volume: 7058.8 ± 0.6 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No