Information card for entry 7127703

Structure parameters

• Formula: C29 H35 As Cl2 F6 Li O7 P
• Calculated formula: C29 H35 As Cl2 F6 Li O7 P
• SMILES: [As]1(c2ccccc2OCCOCC[O]2CC[O]3CC[O](CCOc4ccccc14)[Li]23([F]P(F)(F)(F)(F)F)[OH2])c1ccccc1.ClCCl
• Title of publication: Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.
• Authors of publication: Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 16
• Pages of publication: 2013 - 2016
• a: 11.163 ± 0.005 Å
• b: 12.784 ± 0.005 Å
• c: 13.105 ± 0.006 Å
• α: 70.933 ± 0.013°
• β: 79.936 ± 0.013°
• γ: 78.162 ± 0.015°
• Cell volume: 1718.2 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No