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Information card for entry 7052772
Preview
Coordinates | 7052772.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48.72 H51.8 Cl2 Cu2 N7 O8.68 P2 |
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Calculated formula | C46 H45 Cl2 Cu2 N7 O8 P2 |
SMILES | [Cu]1([P](CNc2cccc3c2cccc3NC[P]([Cu]([n]2cc[n]1cc2)[N]#CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions |
Authors of publication | Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 11 |
Pages of publication | 2471 |
a | 11.357 ± 0.003 Å |
b | 37.356 ± 0.006 Å |
c | 12.909 ± 0.002 Å |
α | 90° |
β | 112.442 ± 0.003° |
γ | 90° |
Cell volume | 5061.9 ± 1.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0781 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.156 |
Weighted residual factors for all reflections included in the refinement | 0.168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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