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Information card for entry 7218100
Preview
Coordinates | 7218100.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,4'-((1E,1'E)-((((2-(((Z)-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)amino)ethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one) |
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Formula | C39 H42 N10 O3 |
Calculated formula | C39 H42 N10 O3 |
SMILES | O=C1N(N=C(/C1=C/NCCN(CCN/C=C1\C(=O)N(N=C1C)c1ccccc1)CCN/C=C1/C(=NN(c2ccccc2)C1=O)C)C)c1ccccc1 |
Title of publication | C3 Symmetric vanadium(III) complexes with O,N-chelating hexadentate tripodal ligands of pyrazolone |
Authors of publication | Jadeja, Rajendrasinh; Parihar, Sanjay; Gupta, Vivek |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 10.531 ± 0.0011 Å |
b | 12.233 ± 0.0012 Å |
c | 14.8664 ± 0.0015 Å |
α | 113.201 ± 0.002° |
β | 91.722 ± 0.002° |
γ | 92.732 ± 0.002° |
Cell volume | 1755.8 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1117 |
Residual factor for significantly intense reflections | 0.1013 |
Weighted residual factors for significantly intense reflections | 0.2407 |
Weighted residual factors for all reflections included in the refinement | 0.2476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
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/7218100.html
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Users of the data should acknowledge the original authors of the
structural data.