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Information card for entry 7217224
Preview
Coordinates | 7217224.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H16 Cu N2 O4 |
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Calculated formula | C20 H16 Cu N2 O4 |
Title of publication | Copper(II) induced oxidative modification and complexation of a Schiff base Ligand: synthesis, crystal structure, catalytic oxidation of aromatic hydrocarbons and DFT calculation |
Authors of publication | Mahammad, Ali; Biswas, Surajit; Dutta, Arpan; Debnath, Mainak; Dolai, Malay; Jana, Atisdipankar |
Journal of publication | RSC Advances |
Year of publication | 2014 |
a | 12.616 ± 0.0004 Å |
b | 23.0976 ± 0.0008 Å |
c | 7.088 ± 0.0003 Å |
α | 90° |
β | 102.372 ± 0.002° |
γ | 90° |
Cell volume | 2017.47 ± 0.13 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.108 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.245 |
Weighted residual factors for all reflections included in the refinement | 0.2677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180503 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72. |
7217224.cif |
120874 | 2014-07-29 | cif/ Adding structures of 7217224 via cif-deposit CGI script. |
7217224.cif |
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