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Information card for entry 7054092
Preview
Coordinates | 7054092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C92 H88 Cl4 Cu2 N12 O22 |
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Calculated formula | C92 H88 Cl4 Cu2 N12 O22 |
SMILES | [Cu]12345[n]6cc7ccccc7c7cc8c9ccccc9c[n]9[Cu]%10([n](c67)c89)([n]6c7[n]1cc1ccccc1c7cc1c7ccccc7c[n]%10c61)([n]1cc6c(c7cc8c9c(c[n]2c8[n]3c17)cccc9)cccc6)[n]1cc2c(c3cc6c7c(c[n]4c6[n]5c13)cccc7)cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O(CC)CC.O(CC)CC.O(CC)CC.O(CC)CC.O.O |
Title of publication | Transition metal complexes of a super rigid anthyridine ligand: structural, magnetic and DFT studies |
Authors of publication | Wang, Wen-Zhen; Hsieh, Chang-Lin; Ismayilov, Rayyat H.; Hsu, Chia-Hung; Liu, Isiah Po-Chun; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming |
Journal of publication | New Journal of Chemistry |
Year of publication | 2012 |
Journal volume | 36 |
Journal issue | 11 |
Pages of publication | 2340 |
a | 13.8833 ± 0.0003 Å |
b | 33.8521 ± 0.0009 Å |
c | 19.152 ± 0.0004 Å |
α | 90° |
β | 94.9954 ± 0.0012° |
γ | 90° |
Cell volume | 8966.8 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.1969 |
Residual factor for significantly intense reflections | 0.0774 |
Weighted residual factors for significantly intense reflections | 0.22 |
Weighted residual factors for all reflections included in the refinement | 0.2667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7054092.html
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