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Information card for entry 7246772
Preview
Coordinates | 7246772.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H67 Cu4 N17 O17 |
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Calculated formula | C55 H67 Cu4 N17 O17 |
Title of publication | Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions |
Authors of publication | Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 25 |
Pages of publication | 3628 - 3636 |
a | 10.5315 ± 0.0003 Å |
b | 15.0888 ± 0.0005 Å |
c | 21.2924 ± 0.0007 Å |
α | 74.155 ± 0.001° |
β | 86.294 ± 0.001° |
γ | 81.889 ± 0.001° |
Cell volume | 3221.19 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1004 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/7246772.html
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Users of the data should acknowledge the original authors of the
structural data.