Information card for entry 4321768

Structure parameters

• Formula: C8 H7 K O2 Se
• Calculated formula: C8 H7 K O2 Se
• SMILES: [Se]=C([O-])c1c(OC)cccc1.[K+]
• Title of publication: Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues
• Authors of publication: Osamu Niyomura; Shinzi Kato; Takahiro Kanda
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 507 - 518
• a: 8.597 ± 0.004 Å
• b: 7.106 ± 0.004 Å
• c: 15.104 ± 0.006 Å
• α: 90°
• β: 100.36 ± 0.04°
• γ: 90°
• Cell volume: 907.7 ± 0.8 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.83
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No