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Information card for entry 7007750
Preview
Coordinates | 7007750.cif |
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Original paper (by DOI) | HTML |
Common name | mer-tricarbonyl-(dimethylsulfoxide,O)-(2,2'-bipyridine)- rhenium(i) triflate |
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Chemical name | mer-tricarbonyl-(dimethylsulfoxide,O)-(2,2'-bipyridine)-rhenium(I) triflate |
Formula | C16 H14 F3 N2 O7 Re S2 |
Calculated formula | C16 H14 F3 N2 O7 Re S2 |
SMILES | [Re]1([O]=S(C)C)(C#[O])(C#[O])(C#[O])[n]2ccccc2c2[n]1cccc2.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | fac-[Re(CO)3(dmso-O)3](CF3SO3): a new versatile and efficient Re(I) precursor for the preparation of mono and polynuclear compounds containing fac-[Re(CO)3]+ fragments. |
Authors of publication | Casanova, Massimo; Zangrando, Ennio; Munini, Fabio; Iengo, Elisabetta; Alessio, Enzo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 42 |
Pages of publication | 5033 - 5045 |
a | 6.585 ± 0.003 Å |
b | 12.714 ± 0.004 Å |
c | 12.994 ± 0.003 Å |
α | 79.43 ± 0.02° |
β | 80.06 ± 0.03° |
γ | 86.72 ± 0.03° |
Cell volume | 1053 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mokα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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