Information card for entry 4322991

Structure parameters

• Formula: C4 H12 Cl10 Nb2 S4
• Calculated formula: C4 H12 Cl10 Nb2 S4
• Title of publication: Synthesis, Structure, Hydrolysis, and Film Deposition Studies of Complexes of the Formula [NbCl4(S2R2)2][NbCl6]
• Authors of publication: Peggy J. McKarns; Mary Jane Heeg; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4743 - 4747
• a: 11.896 ± 0.001 Å
• b: 12.403 ± 0.001 Å
• c: 15.258 ± 0.001 Å
• α: 90°
• β: 100.612 ± 0.001°
• γ: 90°
• Cell volume: 2212.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections: 0.1387
• Weighted residual factors for significantly intense reflections: 0.119
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No