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Information card for entry 4087076
Preview
Coordinates | 4087076.cif |
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Original paper (by DOI) | HTML |
Formula | C32.5 H33 N5 |
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Calculated formula | C32.5 H33 N5 |
SMILES | n1c(N2[C]N(C=C2)c2c(cc(cc2C)C)C)cccc1N1[C]N(C=C1)c1c(cc(cc1C)C)C.c1ccccc1C |
Title of publication | Alkaline Earth Metal‒Carbene Complexes with the Versatile Tridentate 2,6-Bis(3-mesitylimidazol-2-ylidene)pyridine Ligand |
Authors of publication | Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 5 |
Pages of publication | 994 |
a | 17.1204 ± 0.0003 Å |
b | 10.6306 ± 0.0002 Å |
c | 30.004 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5460.73 ± 0.18 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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