Information card for entry 4319950

Structure parameters

• Formula: Cl N2 S Se2
• Calculated formula: Cl N2 S Se2
• SMILES: [Se]1N=S=N[Se]1.[Cl-]
• Title of publication: Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2
• Authors of publication: Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3539 - 3543
• a: 8.5721 ± 0.0007 Å
• b: 7.8336 ± 0.0006 Å
• c: 15.2277 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1022.55 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No