Information card for entry 4322232

Structure parameters

• Formula: C5 H12 Cl2 N2 S Se
• Calculated formula: C5 H12 Cl2 N2 S Se
• SMILES: [Se](Cl)[S]=C(N(C)C)N(C)C.[Cl-]
• Title of publication: Syntheses of THF Solutions of SeX2 (X = Cl, Br) and a New Route to Selenium Sulfides SenS8-n (n= 1-5): X-ray Crystal Structures of SeCl2(tht)2 and SeCl2.tmtu
• Authors of publication: Arto Maaninen; Tristram Chivers; Masood Parvez; Jarkko Pietikäinen; Risto S. Laitinen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4093 - 4097
• a: 8.473 ± 0.003 Å
• b: 9.236 ± 0.003 Å
• c: 7.709 ± 0.004 Å
• α: 109.9 ± 0.03°
• β: 92.26 ± 0.04°
• γ: 107.89 ± 0.03°
• Cell volume: 532.8 ± 0.4 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0484
• Goodness-of-fit parameter for all reflections: 2.099
• Goodness-of-fit parameter for significantly intense reflections: 2.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No