Information card for entry 4318032

Structure parameters

• Formula: C9 H12 N2 Na O5 S2 V
• Calculated formula: C9 H12 N2 Na O5 S2 V
• SMILES: [V]12(SC(SC)=N[N]2=Cc2c(O1)cccc2)(=O)=O.[Na+].O.O
• Title of publication: Spontaneous Assembly of a Polymeric Helicate of Sodium with LVO2 Units Forming the Strand: Photoinduced Transformation into a Mixed-Valence Product
• Authors of publication: Subodh Kanti Dutta; Satyabrata Samanta; Suman Mukhopadhyay; Pannee Burckel; A. Alan Pinkerton; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2946 - 2952
• a: 16.0051 ± 0.0016 Å
• b: 6.1422 ± 0.0011 Å
• c: 14.728 ± 0.003 Å
• α: 90 ± 0.03°
• β: 101.02 ± 0.03°
• γ: 90 ± 0.019°
• Cell volume: 1421.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No