Information card for entry 8102890

Structure parameters

• Chemical name: tetrapotassium hexaselenidohypodiphosphate
• Formula: K4 P2 Se6
• Calculated formula: K4 P2 Se6
• SMILES: [Se]=P([Se-])([Se-])P(=[Se])([Se-])[Se-].[K+].[K+].[K+].[K+]
• Title of publication: Crystal structure of tetrapotassium hexaselenidohypodiphosphate, K~4~P~2~Se~6~
• Authors of publication: B. C. Chan; P. L. Feng; Z. Hulvey; P. K. Dorhout
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 9 - 10
• a: 13.6637 ± 0.001 Å
• b: 12.3993 ± 0.0009 Å
• c: 8.7631 ± 0.0007 Å
• α: 90°
• β: 91.267 ± 0.001°
• γ: 90°
• Cell volume: 1484.28 ± 0.19 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 3
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.313
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No