Information card for entry 7203728

Structure parameters

• Formula: C46 H37 Cl5 N2 O3 Os S32
• Calculated formula: C45.976 H36.98 Cl5 N1.996 O2.992 Os 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: 9.6275 ± 0.0006 Å
• b: 11.1599 ± 0.0006 Å
• c: 18.064 ± 0.001 Å
• α: 101.478 ± 0.005°
• β: 91.926 ± 0.006°
• γ: 110.894 ± 0.005°
• Cell volume: 1765.31 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No