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Information card for entry 7042395
Preview
Coordinates | 7042395.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H19 Co N2 O S2 |
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Calculated formula | C18 H19 Co N2 O S2 |
SMILES | [Co]12345(SC(=C(S1)C(C)C)C1Nc6c(NC1=O)cccc6)[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | The unusual ring scission of a quinoxaline-pyran-fused dithiolene system related to molybdopterin. |
Authors of publication | Fogeron, Thibault; Retailleau, Pascal; Chamoreau, Lise-Marie; Fontecave, Marc; Li, Yun |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 13 |
Pages of publication | 4161 - 4164 |
a | 17.498 ± 0.004 Å |
b | 5.5628 ± 0.0014 Å |
c | 17.846 ± 0.005 Å |
α | 90° |
β | 98.08 ± 0.02° |
γ | 90° |
Cell volume | 1719.8 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0979 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7042395.html
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