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Information card for entry 4069177
Preview
Coordinates | 4069177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H36 Co N5 O4 S4 |
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Calculated formula | C37 H36 Co N5 O4 S4 |
SMILES | [Co]12(N(=O)=C(C(Sc3ccccc3)=[N]1O)Sc1ccccc1)([N](O)=C(C(Sc1ccccc1)=N2=O)Sc1ccccc1)([n]1ccccc1)CCCC |
Title of publication | Cobaloximes with Bis(thiophenyl)glyoxime: Synthesis and Structure−Property Relationship Study |
Authors of publication | Dutta, Gargi; Kumar, Kamlesh; Gupta, B. D. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3485 |
a | 25.458 ± 0.005 Å |
b | 10.961 ± 0.005 Å |
c | 14.499 ± 0.005 Å |
α | 90 ± 0.005° |
β | 118.331 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3561 ± 2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0917 |
Residual factor for significantly intense reflections | 0.0802 |
Weighted residual factors for significantly intense reflections | 0.1967 |
Weighted residual factors for all reflections included in the refinement | 0.2295 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71069 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/4069177.html
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