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Information card for entry 7029369
Preview
Coordinates | 7029369.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H15 Co N12 |
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Calculated formula | C13 H15 Co N12 |
SMILES | [Co]12(N=N#N)(N=N#N)([NH](Cc3[n]1cccc3)CCc1[n]2cccc1)N=N#N |
Title of publication | Methylene bridge regulated geometrical preferences of ligands in cobalt(iii) coordination chemistry and phenoxazinone synthase mimicking activity. |
Authors of publication | Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 14 |
Pages of publication | 5443 - 5452 |
a | 8.444 ± 0.0007 Å |
b | 12.3232 ± 0.001 Å |
c | 8.7986 ± 0.0007 Å |
α | 90° |
β | 114.066 ± 0.006° |
γ | 90° |
Cell volume | 835.97 ± 0.12 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1106 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1436 |
Weighted residual factors for all reflections included in the refinement | 0.1669 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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