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Information card for entry 1515208
Preview
Coordinates | 1515208.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Nitro-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline)(triphenylphosphine) palladium(II) |
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Formula | C39 H37 Cl2 N2 O6 P Pd |
Calculated formula | C39 H37 Cl2 N2 O6 P Pd |
SMILES | c1cc2cc(c(cc2c2Cc3cc(c(cc3[Pd]([n]12)([P](c1ccccc1)(c1ccccc1)c1ccccc1)ON=O)OC)OC)OC)OC.C(Cl)Cl |
Title of publication | On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 |
Authors of publication | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 5 |
Pages of publication | 1656 |
a | 10.786 ± 0.008 Å |
b | 22.362 ± 0.017 Å |
c | 16.405 ± 0.012 Å |
α | 90° |
β | 104.945 ± 0.009° |
γ | 90° |
Cell volume | 3823 ± 5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0618 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1399 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1515208.html
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