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Information card for entry 7036049
Preview
Coordinates | 7036049.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H30 Cl5 N3 O0 Zn |
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Calculated formula | C27 H30 Cl5 N3 Zn |
SMILES | [NH2+](Cc1cc(cc(c1)C[NH2+]c1ccccc1)C[NH2+]c1ccccc1)c1ccccc1.[Zn](Cl)(Cl)([Cl-])[Cl-].[Cl-] |
Title of publication | Insights into the formation of chiral second sphere coordination complexes with aromatic tris amines: combined single crystal X-ray crystallography and molecular modeling analyses. |
Authors of publication | Yu, Hong-Cui; Li, Lei; Gao, Ji; Tong, Jian; Zheng, Wenxu; Cametti, Massimo; Famulari, Antonino; Meille, Stefano Valdo; Guo, Fang; Martí-Rujas, Javier |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 36 |
Pages of publication | 15960 - 15965 |
a | 10.428 ± 0.008 Å |
b | 11.382 ± 0.008 Å |
c | 14.421 ± 0.011 Å |
α | 86.257 ± 0.008° |
β | 74.387 ± 0.007° |
γ | 62.935 ± 0.007° |
Cell volume | 1464.7 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.0968 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/7036049.html
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