Information card for entry 4330856

Structure parameters

• Formula: C38 H70 Li4 N4 O3 P2 S6
• Calculated formula: C38 H70 Li4 N4 O3 P2 S6
• Title of publication: Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters
• Authors of publication: Robert P. Davies; Laura Patel; Andrew J. P. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11594 - 11601
• a: 8.8544 ± 0.0004 Å
• b: 10.7325 ± 0.0005 Å
• c: 14.052 ± 0.0006 Å
• α: 94.743 ± 0.004°
• β: 91.093 ± 0.004°
• γ: 110.391 ± 0.004°
• Cell volume: 1245.76 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No