Information card for entry 7707257

Structure parameters

• Chemical name: lithium octaethyl (2λ4-2,2'-spirobi[naphtho[2,3-d][1,3,2]dioxaborole]-4,4',9,9'-tetrayl)tetrakis(phosphonate)
• Formula: C72 H96 B2 Li2 O32 P8
• Calculated formula: C72 H96 B2 Li2 O32 P8
• Title of publication: Organophosphorus decorated lithium borate and phosphate salts with extended π-conjugated backbone.
• Authors of publication: Delgado Rosario, Emalyn; Rectenwald, Michael F.; Gaffen, Joshua R.; Rheingold, Arnold L.; Protasiewicz, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 6667 - 6672
• a: 9.3498 ± 0.0018 Å
• b: 19.335 ± 0.003 Å
• c: 23.9 ± 0.004 Å
• α: 73.891 ± 0.005°
• β: 83.711 ± 0.004°
• γ: 78.62 ± 0.004°
• Cell volume: 4062.5 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1532
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No