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Information card for entry 4081391
Preview
Coordinates | 4081391.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H106 Mg2 N4 |
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Calculated formula | C76 H106 Mg2 N4 |
SMILES | CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Mg]2(N1c1c(cccc1C(C)C)C(C)C)[C](#CCCCC)[Mg]1([N](c3c(cccc3C(C)C)C(C)C)=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)[C]2#CCCCC.c1ccccc1 |
Title of publication | Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides |
Authors of publication | Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 17 |
Pages of publication | 4961 |
a | 11.9988 ± 0.0003 Å |
b | 13.0488 ± 0.0004 Å |
c | 13.3379 ± 0.0004 Å |
α | 97.953 ± 0.001° |
β | 111.744 ± 0.002° |
γ | 111.494 ± 0.002° |
Cell volume | 1711.66 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1416 |
Residual factor for significantly intense reflections | 0.1226 |
Weighted residual factors for significantly intense reflections | 0.2951 |
Weighted residual factors for all reflections included in the refinement | 0.3105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/4081391.html
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