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Information card for entry 7243297
Preview
Coordinates | 7243297.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H80 Co Eu2 N17 O32 |
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Calculated formula | C75 H80 Co Eu2 N17 O32 |
SMILES | [Eu]1([O]=N(=O)O1)(OC(=O)c1ccc([n+]2ccc(c4ccncc4)cc2)cc1)([OH2])([OH2])([OH2])(OC(=O)c1ccc([n+]2ccc(cc2)c2ccncc2)cc1)[OH2].[Eu]1([O]=N(O1)=O)([OH2])([OH2])(OC(=O)c1ccc([n+]2ccc(cc2)c2ccncc2)cc1)([OH2])([OH2])OC(=O)c1ccc([n+]2ccc(c3ccncc3)cc2)cc1.[Co](C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O=N(=O)[O-].O.OC.O.O.O.O |
Title of publication | Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids |
Authors of publication | Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 35 |
Pages of publication | 5994 - 6011 |
a | 10.2652 ± 0.0002 Å |
b | 20.5445 ± 0.0004 Å |
c | 39.9674 ± 0.0008 Å |
α | 90° |
β | 96.8 ± 0.001° |
γ | 90° |
Cell volume | 8369.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.078 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1372 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
269693 (current) | 2021-10-06 | cif/ Updating files of 7243295, 7243296, 7243297 Original log message: Adding full bibliography for 7243295--7243297.cif. |
7243297.cif |
267821 | 2021-07-30 | cif/ Adding structures of 7243295, 7243296, 7243297 via cif-deposit CGI script. |
7243297.cif |
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Users of the data should acknowledge the original authors of the
structural data.