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Information card for entry 7031747
Preview
Coordinates | 7031747.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H53 Cl2 Cu N2 Si |
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Calculated formula | C46 H53 Cl2 Cu N2 Si |
SMILES | [Cu](Cl)=C1N(C=C([Si](Cl)(c2ccccc2)c2ccccc2)N1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C |
Title of publication | Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes. |
Authors of publication | Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 36 |
Pages of publication | 13704 - 13710 |
a | 11.38 ± 0.002 Å |
b | 15.471 ± 0.002 Å |
c | 24.676 ± 0.003 Å |
α | 90° |
β | 98.03 ± 0.02° |
γ | 90° |
Cell volume | 4301.9 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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