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Information card for entry 4346093
Preview
Coordinates | 4346093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H24 Na2 O23 V2 |
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Calculated formula | C8 H24 Na2 O23 V2 |
SMILES | [V]123(OC(=O)[C@H]([OH]1)[C@H]1[OH][V]4(OC1=O)(O[C@H]([C@@H](O3)C(=O)O2)C(=O)O4)(=O)[OH2])(=O)[OH2].[Na+].[Na+].O.O.O.O.O.O.O |
Title of publication | Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation. |
Authors of publication | Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 8 |
Pages of publication | 4011 - 4020 |
a | 8.5931 ± 0.0005 Å |
b | 10.4332 ± 0.0006 Å |
c | 24.2289 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2172.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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