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Information card for entry 4314310
Preview
Coordinates | 4314310.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H14 Br N2 Na O6.5 S2 V |
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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 Å3 |
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 |
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