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Information card for entry 7049963
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Coordinates | 7049963.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 1 |
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Formula | C H0 N6 Na6 O73 V15 |
Calculated formula | C N6 Na6 O73 V15 |
SMILES | NN.[O]1=C2O[V]345(=O)[O]6[V]78(=O)[O]9[V]%10%11(=O)[O]%12[V]%13%141(=O)[O]1[V]%15%16(=O)[O]%17[V]%18([O]3[V]3%19([O]%18[V]%18%20([O]%21[V]%22(O2)(=O)([O]2[V]%23(=O)([O]7[V]6(=O)(O3)[O]%22%23)[O]%10[V]2(=O)(O[V]%21([O]%15%18)(=O)[O]%14%16)[O]%11%13)[O]%19%20)=O)=O)(=O)[O]5[V]1%17(=O)O[V]9%12(=O)[O]48.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.NN.NN.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Carbonate encapsulation from dissolved atmospheric CO<sub>2</sub> into a polyoxovanadate capsule. |
Authors of publication | Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Das, Samar K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 24 |
Pages of publication | 8773 - 8781 |
a | 12.991 ± 0.0006 Å |
b | 12.991 ± 0.0006 Å |
c | 23.1099 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3377.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 190 |
Hermann-Mauguin space group symbol | P -6 2 c |
Hall space group symbol | P -6c -2c |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/7049963.html
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