Information card for entry 7108603

Structure parameters

• Formula: C83 H152 Li2 O13 P3
• Calculated formula: C83 H152 Li2 O13 P3
• Title of publication: The 4,5,6-triphospha[3]radialene dianion: a phosphorus analogue of the deltate dianion. A NICS(0)?zz examination of their aromaticity
• Authors of publication: Hideaki Miyake; Takahiro Sasamori; Judy I-Chia Wu; Paul Schleyer; Norihiro Tokitoh
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11440
• a: 12.653 ± 0.0013 Å
• b: 29.02 ± 0.002 Å
• c: 25.145 ± 0.003 Å
• α: 90°
• β: 91.852 ± 0.007°
• γ: 90°
• Cell volume: 9228.2 ± 1.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No