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Information card for entry 4321965
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Coordinates | 4321965.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis(diprotonated1,4-diazabicyclo(2.2.2)octane)vanadyl(IV)tetra(hydrogen phosphate)hydrogenboratetetrahydrate |
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Formula | C12 H41 B3 N4 O25 P4 V |
Calculated formula | C12 H33 B3 N4 O24.682 P4 V |
Title of publication | Synthesis and Characterization of a Borophosphate Anion Containing a Single Vanadium Atom: [N~2~C~6~H~14~]~2~[VO(PO~3~OH)~4~(B~3~O~3~OH)]4H~2~O |
Authors of publication | Ranko P. Bontchev; Junghwan Do; Allan J. Jacobson |
Journal of publication | Inorganic Chemistry |
Year of publication | 1999 |
Journal volume | 38 |
Pages of publication | 2231 - 2233 |
a | 16.6625 ± 0.001 Å |
b | 10.613 ± 0.0006 Å |
c | 17.8888 ± 0.001 Å |
α | 90° |
β | 100.83 ± 0.001° |
γ | 90° |
Cell volume | 3107.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.053 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for all reflections | 0.0976 |
Weighted residual factors for significantly intense reflections | 0.0907 |
Goodness-of-fit parameter for all reflections | 1.056 |
Goodness-of-fit parameter for significantly intense reflections | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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