Information card for entry 4314310

Structure parameters

• Formula: C9 H14 Br N2 Na O6.5 S2 V
• Calculated formula: C9 H14 Br N2 Na O6.5 S2 V
• SMILES: [V]12(SC(SC)=N[N]2=Cc2c(O1)ccc(Br)c2)(=O)=O.[Na+].O.O.O.O
• Title of publication: Adduct Formation between Alkali Metal Ions and Anionic LVVO2- (L2- = Tridentate ONS Ligands) Species: Syntheses, Structural Investigation, and Photochemical Studies
• Authors of publication: Satyabrata Samanta; Suman Mukhopadhyay; Debdas Mandal; Ray J. Butcher; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6284 - 6293
• a: 7.7392 ± 0.0018 Å
• b: 13.81 ± 0.002 Å
• c: 16.93 ± 0.002 Å
• α: 81.989 ± 0.008°
• β: 89.799 ± 0.013°
• γ: 76.848 ± 0.015°
• Cell volume: 1744 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No