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Information card for entry 7036395
Preview
Coordinates | 7036395.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H63 N2 O6 V |
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Calculated formula | C40 H63 N2 O6 V |
SMILES | [V]12([N](Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)(Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)CCc1ncccc1)(OC)(=O)[OH]C.OC |
Title of publication | Vanadium(v) complexes of a tripodal ligand, their characterisation and biological implications. |
Authors of publication | Maurya, Mannar R.; Uprety, Bhawna; Avecilla, Fernando; Adão, Pedro; Costa Pessoa, J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 40 |
Pages of publication | 17736 - 17755 |
a | 7.9065 ± 0.0005 Å |
b | 14.5215 ± 0.0009 Å |
c | 19.1809 ± 0.0012 Å |
α | 67.981 ± 0.003° |
β | 82.406 ± 0.004° |
γ | 86.889 ± 0.003° |
Cell volume | 2023.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0712 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.138 |
Weighted residual factors for all reflections included in the refinement | 0.1573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7036395.html
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Users of the data should acknowledge the original authors of the
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