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Information card for entry 7061125
Preview
Coordinates | 7061125.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H22 Cl2 Co N10 |
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Calculated formula | C26 H22 Cl2 Co N10 |
SMILES | [Co]12(Cl)(Cl)([n]3ccccc3c3nn(c([n]23)c2ncccc2)C)[n]2c(n(nc2c2[n]1cccc2)C)c1ncccc1 |
Title of publication | High phenoxazinone synthase activity of two mononuclear cis-dichloro cobalt(ii) complexes with a rigid pyridyl scaffold |
Authors of publication | Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Giri, Bishnubasu; Maji, Somnath |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 2 |
Pages of publication | 521 - 532 |
a | 18.2363 ± 0.0005 Å |
b | 7.2361 ± 0.0002 Å |
c | 19.5525 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2580.14 ± 0.13 Å3 |
Cell temperature | 273 K |
Ambient diffraction temperature | 273 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0686 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1589 |
Weighted residual factors for all reflections included in the refinement | 0.1651 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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