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Information card for entry 7044844
Preview
Coordinates | 7044844.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 N5 O5 V |
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Calculated formula | C19 H19 N5 O5 V |
SMILES | [V]12(=O)(OC(=O)c3cccc([n]13)C(=O)O2)([n]1ccn(c1)CC=C)[n]1ccn(c1)CC=C |
Title of publication | Syntheses, crystal structures, DFT calculations, protein interaction and anticancer activities of water soluble dipicolinic acid-imidazole based oxidovanadium(iv) complexes |
Authors of publication | Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Acharya, Krishnendu; Chandra, Swarnendu |
Journal of publication | Dalton Transactions |
Year of publication | 2017 |
a | 22.8084 ± 0.0016 Å |
b | 7.7189 ± 0.0005 Å |
c | 23.1109 ± 0.0019 Å |
α | 90° |
β | 96.434 ± 0.007° |
γ | 90° |
Cell volume | 4043.2 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0813 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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