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Information card for entry 4329314
Preview
Coordinates | 4329314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H13 K2 N O13 V2 |
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Calculated formula | C5 H13 K2 N O13 V2 |
SMILES | [V]12([O](O1)[V]34(OO4)(OO3)=O)(OC(=O)C[N+](C)(C)C)(OO2)=O.[K+].[K+].O |
Title of publication | pH-Specific Structural Speciation of the Ternary V(V)-Peroxido-Betaine System: A Chemical Reactivity-Structure Correlation |
Authors of publication | C. Gabriel; E. Kioseoglou; J. Venetis; V. Psycharis; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Bertmer; C. Mateescu; A. Salifoglou |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 6056 - 6069 |
a | 12.211 ± 0.005 Å |
b | 11.481 ± 0.004 Å |
c | 22.266 ± 0.009 Å |
α | 90° |
β | 90 ± 0.009° |
γ | 90° |
Cell volume | 3122 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.0507 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4329314.html
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