Information card for entry 4318542

Structure parameters

• Chemical name: 1-Oxa-1-phenyl-5,5'-bissulfonato-dibenzo[b,d]phosphole-dipotassium
• Formula: C18 H16 K2 O9.5 P S2
• Calculated formula: C18 H11 K2 O9.5 P S2
• SMILES: [K+].[K+].O=P1(c2c(cc(S(=O)(=O)[O-])cc2)c2c1ccc(S(=O)(=O)[O-])c2)c1ccccc1.O.O.O
• Title of publication: Water-Soluble Phosphines. 17.1 Novel Water-Soluble Secondary and Tertiary Phosphines with Disulfonated 1,1'-Biphenyl Backbones and Dibenzophosphole Moieties
• Authors of publication: Oliver Herd; Dietmar Hoff; Konstantin W. Kottsieper; Christian Liek; Kirsten Wenz; Othmar Stelzer; William S. Sheldrick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5034 - 5042
• a: 13.799 ± 0.003 Å
• b: 19.246 ± 0.004 Å
• c: 17.764 ± 0.004 Å
• α: 90°
• β: 105.63 ± 0.03°
• γ: 90°
• Cell volume: 4543.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections: 0.2414
• Weighted residual factors for significantly intense reflections: 0.1904
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No