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Information card for entry 7042541
Preview
Coordinates | 7042541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H122 N2 O23 V6 |
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Calculated formula | C62 H122 N2 O23 V6 |
SMILES | C(CCC)[N+](CCCC)(CCCC)CCCC.[O]12[V]345(=O)[O]6CC(C1)(C(=O)OCCCCCCCCC=C)C[O]1[V]782(=O)O[V]29([O]%10CC%11(C[O]2[V]2%12([O]([V]%13%10(=O)(O[V]61(=O)([O]3792%13)O%12)O4)C%11)(O8)=O)C(=O)OCCCCCCCCC=C)(=O)O5.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | A simple synthetic route to polyoxovanadate-based organic-inorganic hybrids using EEDQ as an ester coupling agent. |
Authors of publication | Bayaguud, Aruuhan; Li, JianDa; She, Shan; Wei, Yongge |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 14 |
Pages of publication | 4602 - 4608 |
a | 11.562 ± 0.002 Å |
b | 12.318 ± 0.003 Å |
c | 15.05 ± 0.003 Å |
α | 78.38 ± 0.03° |
β | 89.8 ± 0.03° |
γ | 62.09 ± 0.03° |
Cell volume | 1845.1 ± 0.9 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1229 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7042541.html
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Users of the data should acknowledge the original authors of the
structural data.