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Information card for entry 4511804
Preview
Coordinates | 4511804.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H12 Ba3 O28 V2 |
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Calculated formula | C10 H12 Ba3 O28 V2 |
SMILES | C1(=O)O[V]2(OC1=O)(OC(=O)C(=O)O[V]13(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)=O)(=O)OC(=O)C(=O)O2.O.O.O.[Ba+2].[Ba+2].[Ba+2].O.O.O |
Title of publication | Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method |
Authors of publication | Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 9 |
Pages of publication | 4749 |
a | 10.2354 ± 0.0019 Å |
b | 15.455 ± 0.003 Å |
c | 17.536 ± 0.003 Å |
α | 90° |
β | 98.718 ± 0.003° |
γ | 90° |
Cell volume | 2741.9 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0187 |
Residual factor for significantly intense reflections | 0.0185 |
Weighted residual factors for significantly intense reflections | 0.0429 |
Weighted residual factors for all reflections included in the refinement | 0.0429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.272 |
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/4511804.html
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