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Information card for entry 7245181
Preview
Coordinates | 7245181.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H70 Cu3 Gd2 N4 O27 |
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Calculated formula | C34 H70 Cu3 Gd2 N4 O27 |
Title of publication | A new {Cu3–Gd2} cluster as a two-in-one functional material with unique topology acting as a refrigerant and adsorbent for cationic dye |
Authors of publication | Qasem, Khalil M. A.; Khan, Shabnam; Fitta, Magdalena; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Shahid, M.; Saleh, Hatem A. M.; Ahmad, Musheer |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 11.9919 ± 0.0004 Å |
b | 18.7337 ± 0.0006 Å |
c | 13.067 ± 0.0004 Å |
α | 90° |
β | 108.872 ± 0.001° |
γ | 90° |
Cell volume | 2777.73 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0591 |
Weighted residual factors for all reflections included in the refinement | 0.0633 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0554 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7245181.html
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structural data.