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Information card for entry 7203020
Preview
Coordinates | 7203020.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H23 Cu N7 O9 |
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Calculated formula | C24 H23 Cu N7 O9 |
SMILES | [Cu]12([n]3c(C[N]1(c1ccc(cc1)Cc1[nH+]cccc1)Cc1[n]2cccc1)cccc3)(ON(=O)=O)ON(=O)=O.O=N(=O)[O-] |
Title of publication | Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand |
Authors of publication | Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R. |
Journal of publication | CrystEngComm |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 11 |
Pages of publication | 997 |
a | 8.0308 ± 0.0016 Å |
b | 8.6296 ± 0.0017 Å |
c | 20.091 ± 0.004 Å |
α | 93.94 ± 0.03° |
β | 92.29 ± 0.03° |
γ | 116.16 ± 0.03° |
Cell volume | 1242.9 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0692 |
Residual factor for significantly intense reflections | 0.0648 |
Weighted residual factors for significantly intense reflections | 0.1884 |
Weighted residual factors for all reflections included in the refinement | 0.192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.411 |
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/7203020.html
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