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Information card for entry 7029983
Preview
Coordinates | 7029983.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H35 Cl N4 O2 Zn |
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Calculated formula | C48 H35 Cl N4 O2 Zn |
SMILES | [Zn]123(Cl)[n]4c5ccc4C(=c4n1c(cc4)=C(c1[n]2c(cc1)=C(C1=CN(C(=[CH]31)C=5c1ccccc1)CC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | A 13C and 1H NMR spectroscopic investigation of the structure of the iminium ion with a dipolar form in metal complexes of 2-N-substituted N-confused porphyrins. |
Authors of publication | Chang, Wen-Pin; Lin, Wen-Chain; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 43 |
Pages of publication | 13454 - 13464 |
a | 14.4083 ± 0.0005 Å |
b | 13.4694 ± 0.0005 Å |
c | 19.744 ± 0.0006 Å |
α | 90° |
β | 100.262 ± 0.003° |
γ | 90° |
Cell volume | 3770.4 ± 0.2 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0583 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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