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Information card for entry 7015226
Preview
Coordinates | 7015226.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H23 Cl N6 O2 Pt |
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Calculated formula | C22 H23 Cl N6 O2 Pt |
SMILES | [Pt]1(c2ccccc2c2[n]1cccc2)(Cl)=C1N(C2N(C(=O)N(C(=O)C=2N1C)C)C)C.N#CC |
Title of publication | N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties. |
Authors of publication | Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 4402 - 4406 |
a | 10.6151 ± 0.0006 Å |
b | 17.5119 ± 0.001 Å |
c | 23.4857 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4365.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0325 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.0701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
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/7015226.html
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