Information card for entry 4303427

Structure parameters

• Common name: MeBPTSMe
• Formula: C14 H12 N6 S4 Se4
• Calculated formula: C14 H12 N6 S4 Se4
• SMILES: C\1(=N/[Se][Se]/N=C2\C(=S)C(=C3C(=N[Se]S3)N2C)C)C(=S)C(C)=C2C(N1C)=N[Se]S2
• Title of publication: Isostructural Bis-1,2,3-Thiaselenazolyl Dimers
• Authors of publication: Alicea A. Leitch; Xueyang Yu; Craig M. Robertson; Richard A. Secco; John S. Tse; Richard T. Oakley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9874 - 9882
• a: 4.2797 ± 0.0005 Å
• b: 13.4739 ± 0.0017 Å
• c: 17.6545 ± 0.0017 Å
• α: 90°
• β: 100.772 ± 0.016°
• γ: 90°
• Cell volume: 1000.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.12879
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No