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Information card for entry 7029987
Preview
Coordinates | 7029987.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H38 N4 Ni O |
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Calculated formula | C53 H38 N4 Ni O |
SMILES | [Ni]123[n]4c5C(=c6n2c(=C(c2[n]1c(cc2)=C(c1c3c(n(c1)CCCOc1ccccc1)C(=c4cc5)c1ccccc1)c1ccccc1)c1ccccc1)cc6)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 | 11.816 ± 0.0005 Å |
b | 12.3785 ± 0.0005 Å |
c | 16.3864 ± 0.0007 Å |
α | 86.438 ± 0.004° |
β | 83.692 ± 0.004° |
γ | 66.275 ± 0.004° |
Cell volume | 2180.48 ± 0.17 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0705 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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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The link is: https://www.crystallography.net/7029987.html
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