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Information card for entry 2021699
Preview
Coordinates | 2021699.cif |
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Structure factors | 2021699.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[bis[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κ<i>N</i>)-1,2,4-triazine-κ<i>N</i>^2^]lead(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] |
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Formula | C34 H20 N10 O4 Pb S2 |
Calculated formula | C34 H20 N10 O4 Pb S2 |
Title of publication | Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand |
Authors of publication | Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald |
Journal of publication | Acta Crystallographica Section C Structural Chemistry |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 8 |
a | 19.7746 ± 0.0009 Å |
b | 6.7721 ± 0.0003 Å |
c | 25.0692 ± 0.0008 Å |
α | 90° |
β | 99.286 ± 0.005° |
γ | 90° |
Cell volume | 3313.2 ± 0.2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 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 | 0.0307 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0541 |
Weighted residual factors for all reflections included in the refinement | 0.0553 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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216788 (current) | 2019-07-06 | cif/ hkl/ Adding structures of 2021698, 2021699, 2021700 via cif-deposit CGI script. |
2021699.cif 2021699.hkl |
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Users of the data should acknowledge the original authors of the
structural data.