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Information card for entry 7036051
Preview
Coordinates | 7036051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H37 Cl5 Cu N3 O |
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Calculated formula | C30 H37 Cl5 Cu N3 O |
SMILES | [NH2+](Cc1c(c(c(c(c1C)C[NH2+]c1ccccc1)C)C[NH2+]c1ccccc1)C)c1ccccc1.[Cu](Cl)(Cl)([Cl-])[Cl-].O.[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 | 8.5878 ± 0.0019 Å |
b | 11.611 ± 0.003 Å |
c | 16.134 ± 0.004 Å |
α | 93.826 ± 0.003° |
β | 92.064 ± 0.003° |
γ | 90.772 ± 0.003° |
Cell volume | 1603.9 ± 0.7 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 | 0.0641 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Weighted residual factors for all reflections included in the refinement | 0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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