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Information card for entry 3000223
Preview
Coordinates | 3000223.cif |
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Structure factors | 3000223.hkl |
Original paper (by DOI) | HTML |
Formula | C12 H25 N10 O9.5 S Zn |
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Calculated formula | C12 H20 N10 O9.5 S Zn |
Title of publication | Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand |
Authors of publication | Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez |
Journal of publication | Journal of Inorganic Biochemistry |
Year of publication | 2020 |
Journal volume | 212 |
Pages of publication | 111235 |
a | 8.0644 ± 0.0006 Å |
b | 11.9048 ± 0.001 Å |
c | 12.3145 ± 0.001 Å |
α | 71.664 ± 0.003° |
β | 74.549 ± 0.003° |
γ | 76.161 ± 0.003° |
Cell volume | 1065.96 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
274295 (current) | 2022-04-04 | cif/ hkl/ Updating files of 3000223 Original log message: Releasing structure 3000223 into public domain as published material. |
3000223.cif 3000223.hkl |
213322 | 2019-01-25 | cif/ hkl/ Adding structures of 3000223 via cif-deposit CGI script. |
3000223.cif |
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Users of the data should acknowledge the original authors of the
structural data.