Information card for entry 4308322

Structure parameters

• Chemical name: 2-thia-6-selenaspiro[3.3]heptane
• Formula: C5 H8 S Se
• Calculated formula: C5 H8 S Se
• Title of publication: Spirocyclic Sulfur and Selenium Ligands as Molecular Rigid Rods in Coordination of Transition Metal Centers
• Authors of publication: Marina A. Petrukhina; Colin Henck; Bo Li; Eric Block; Jin Jin; Shao-Zhong Zhang; Rodolphe Clerac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 77 - 84
• a: 5.8538 ± 0.0005 Å
• b: 19.4846 ± 0.0018 Å
• c: 5.8579 ± 0.0005 Å
• α: 90°
• β: 109.123 ± 0.001°
• γ: 90°
• Cell volume: 631.28 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0197
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No