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Information card for entry 7039059
Preview
Coordinates | 7039059.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H30 Cl2 N4 O4 Pd2 |
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Calculated formula | C43 H30 Cl2 N4 O4 Pd2 |
SMILES | [Pd]1([N](=Cc2c1cccc2)c2ccccc2)(N1C(=[O]2)c3ccccc3C1=O)[O]=C1N(C(=O)c3c1cccc3)[Pd]12([N](=Cc2c1cccc2)c1ccccc1).C(Cl)Cl |
Title of publication | Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes. |
Authors of publication | Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 20 |
Pages of publication | 8601 - 8613 |
a | 9.7804 ± 0.001 Å |
b | 17.4573 ± 0.0018 Å |
c | 22.148 ± 0.002 Å |
α | 90° |
β | 97.068 ± 0.003° |
γ | 90° |
Cell volume | 3752.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1786 |
Residual factor for significantly intense reflections | 0.0763 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1602 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/7039059.html
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