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Information card for entry 7029380
Preview
Coordinates | 7029380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H11 N3 O |
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Calculated formula | C15 H11 N3 O |
SMILES | c1cncc(C(=O)Nc2cc3ccccc3cc2)n1 |
Title of publication | Effect of robust π-π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry. |
Authors of publication | Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 14 |
Pages of publication | 5564 - 5573 |
a | 5.8657 ± 0.0005 Å |
b | 17.8891 ± 0.0017 Å |
c | 22.837 ± 0.002 Å |
α | 90° |
β | 90.93 ± 0.008° |
γ | 90° |
Cell volume | 2396 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0986 |
Residual factor for significantly intense reflections | 0.0957 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.1649 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7029380.html
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structural data.