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Information card for entry 1519003
Preview
Coordinates | 1519003.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H60 Ga N2 O |
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Calculated formula | C56 H60 Ga N2 O |
SMILES | [Ga]1([N](c2c(cccc2C(C)C)C(C)C)=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)(C#Cc1ccccc1)C#Cc1ccccc1.O(CC)CC |
Title of publication | Mononuclear dpp-Bian Gallium Complexes: Synthesis, Crystal Structures, and Reactivity toward Alkynes and Enones |
Authors of publication | Fedushkin, Igor L.; Kazarina, Olga V.; Lukoyanov, Anton N.; Skatova, Alexandra A.; Bazyakina, Natalia L.; Cherkasov, Anton V.; Palamidis, Eftimios |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1498 |
a | 10.5177 ± 0.0004 Å |
b | 11.8367 ± 0.0004 Å |
c | 19.8797 ± 0.0007 Å |
α | 79.654 ± 0.003° |
β | 85.269 ± 0.003° |
γ | 85.892 ± 0.003° |
Cell volume | 2422.31 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0997 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.0791 |
Weighted residual factors for all reflections included in the refinement | 0.0886 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1519003.html
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