Information card for entry 7055028

Structure parameters

• Formula: C16 H24 Cl6 Se3
• Calculated formula: C16 H24 Cl6 Se3
• SMILES: [C@H]12[C@@H](CC[C@@H]([Se]2[Se](Cl)(Cl)[Se]2[C@@H]3[C@H](CC[C@H]2[C@H](CC3)Cl)Cl)[C@@H](CC1)Cl)Cl
• Title of publication: 2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation
• Authors of publication: Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 8055
• a: 7.5401 ± 0.0005 Å
• b: 11.0902 ± 0.0007 Å
• c: 12.9721 ± 0.0008 Å
• α: 90°
• β: 90.385 ± 0.0015°
• γ: 90°
• Cell volume: 1084.72 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No