Information card for entry 4330859

Structure parameters

• Formula: C34 H62 Mg2 N4 O2 P2 S6
• Calculated formula: C34 H62 Mg2 N4 O2 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: 10.0755 ± 0.0003 Å
• b: 18.8928 ± 0.0004 Å
• c: 12.4849 ± 0.0004 Å
• α: 90°
• β: 109.942 ± 0.003°
• γ: 90°
• Cell volume: 2234.05 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No