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Information card for entry 1549183
Preview
Coordinates | 1549183.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 N10 O3 Pb S2 |
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Calculated formula | C28 H26 N10 O3 Pb S2 |
SMILES | c1cc([n]2cc1)C=[N]1[Pb]234([O]=C(N1)c1ccccn1)([O]=C(N[N]4=Cc1[n]3cccc1)c1ncccc1)N=C=S.[S-]C#N.OCC |
Title of publication | Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations |
Authors of publication | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 20 |
Pages of publication | 2812 |
a | 15.4161 ± 0.0005 Å |
b | 13.7171 ± 0.0005 Å |
c | 14.9481 ± 0.0005 Å |
α | 90° |
β | 94.944 ± 0.003° |
γ | 90° |
Cell volume | 3149.23 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.056 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.058 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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