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Information card for entry 7243411
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Coordinates | 7243411.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H30 N2 O4 |
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Calculated formula | C41 H30 N2 O4 |
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 | 7.639 ± 0.002 Å |
b | 14.165 ± 0.004 Å |
c | 14.697 ± 0.004 Å |
α | 95.51 ± 0.02° |
β | 104.51 ± 0.02° |
γ | 96.46 ± 0.02° |
Cell volume | 1517 ± 0.7 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1475 |
Residual factor for significantly intense reflections | 0.0907 |
Weighted residual factors for significantly intense reflections | 0.2117 |
Weighted residual factors for all reflections included in the refinement | 0.2438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
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/7243411.html
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Users of the data should acknowledge the original authors of the
structural data.