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Information card for entry 1564079
Preview
Coordinates | 1564079.cif |
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Original paper (by DOI) | HTML |
Common name | bismuth(III) benzoyl-N,N-morpholylthiourea |
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Formula | C78 H90 Bi2 N12 O14 S6 |
Calculated formula | C78 H90 Bi2 N12 O14 S6 |
Title of publication | Synthesis, characterization and biological applications of bismuth(III) complexes with aroylthiourea ligands |
Authors of publication | de Oliveira, Marcielli Indiara; Chuy, Gabriela Pereira; Vizzotto, Bruno Stefanello; Burrow, Robert Alan; Lang, Ernesto Schulz; dos Santos, Sailer Santos |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 512 |
Pages of publication | 119871 |
a | 12.2328 ± 0.0006 Å |
b | 13.2313 ± 0.0007 Å |
c | 14.8528 ± 0.0008 Å |
α | 63.889 ± 0.002° |
β | 76.568 ± 0.002° |
γ | 76.802 ± 0.002° |
Cell volume | 2077.63 ± 0.19 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 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 | 0.0254 |
Residual factor for significantly intense reflections | 0.0213 |
Weighted residual factors for significantly intense reflections | 0.0484 |
Weighted residual factors for all reflections included in the refinement | 0.0497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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267423 (current) | 2021-07-09 | cif/ Adding structures of 1564079, 1564080, 1564081 via cif-deposit CGI script. |
1564079.cif |
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Users of the data should acknowledge the original authors of the
structural data.