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Information card for entry 7243409
Preview
Coordinates | 7243409.cif |
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Original paper (by DOI) | HTML |
Formula | C84 H58 Cu2 N4 O10.5 |
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Calculated formula | C84 H58 Cu2 N4 O10.5 |
Title of publication | Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies |
Authors of publication | Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 36 |
Pages of publication | 6322 - 6339 |
a | 12.9151 ± 0.0009 Å |
b | 14.7249 ± 0.0009 Å |
c | 17.8978 ± 0.0012 Å |
α | 76.037 ± 0.002° |
β | 76.919 ± 0.002° |
γ | 82.899 ± 0.002° |
Cell volume | 3208.8 ± 0.4 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0875 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1139 |
Weighted residual factors for all reflections included in the refinement | 0.1341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243409.html
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