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Information card for entry 7037647
Preview
Coordinates | 7037647.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H28 N4 |
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Calculated formula | C30 H28 N4 |
SMILES | c1(c2ccncc2)ccc(/C=N/C2CCC(/N=C/c3ccc(c4ccncc4)cc3)CC2)cc1 |
Title of publication | Dynamic single crystal to polycrystal transformation of a 1D-coordination polymer and its second harmonic generation. |
Authors of publication | Cametti, Massimo; Bargigia, Ilaria; Martí-Rujas, Javier |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 4 |
Pages of publication | 1674 - 1678 |
a | 10.4431 ± 0.0006 Å |
b | 16.6727 ± 0.0009 Å |
c | 14.0282 ± 0.0008 Å |
α | 90° |
β | 99.453 ± 0.004° |
γ | 90° |
Cell volume | 2409.3 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0778 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1436 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7037647.html
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