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Information card for entry 7218342
Preview
Coordinates | 7218342.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H72 Cl10 Cu N8 O4 |
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Calculated formula | C54 H72 Cl10 Cu N8 O4 |
SMILES | c1(ccc(cc1)[NH3+])Cc1ccc([NH3+])cc1.[NH3+]c1ccc(Cc2ccc([NH3+])cc2)cc1.OC.O.[Cl-].[Cl-].[Cl-].Cl[Cu](Cl)([Cl-])[Cl-].c1(ccc(cc1)Cc1ccc([NH3+])cc1)[NH3+].[NH3+]c1ccc(Cc2ccc([NH3+])cc2)cc1.OC.O.[Cl-].[Cl-].[Cl-] |
Title of publication | A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis |
Authors of publication | Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 47 |
Pages of publication | 10888 |
a | 9.2374 ± 0.0013 Å |
b | 13.1931 ± 0.0019 Å |
c | 13.996 ± 0.002 Å |
α | 62.333 ± 0.004° |
β | 87.519 ± 0.005° |
γ | 89.003 ± 0.005° |
Cell volume | 1509.2 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0465 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1105 |
Weighted residual factors for all reflections included in the refinement | 0.1121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7218342.html
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