Information card for entry 7203727

Structure parameters

• Formula: C44 H35.33 Cl6.66 N2 O2.67 Os1.33 S32
• Calculated formula: C40 H32 Cl7.016 N1.404 O1.404 Os1.404 S32
• Title of publication: Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒
• Authors of publication: Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 2476
• a: 15.034 ± 0.003 Å
• b: 6.728 ± 0.002 Å
• c: 35.211 ± 0.006 Å
• α: 90°
• β: 92.98 ± 0.01°
• γ: 90°
• Cell volume: 3556.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No