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Information card for entry 4060721
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Coordinates | 4060721.cif |
---|
Formula | C52 H64 N8 O5 Sm2 |
---|---|
Calculated formula | C52 H64 N8 O5 Sm2 |
SMILES | [Sm]12345678(n9cccc9C=[N]1c1ccccc1[N]2=C1[C]29=[CH]%10[Sm]%11%12%13%14%152([N]39=[CH]%15=[CH]%10%14)([N]24[CH]5=[CH]6[CH]7=[C]82C1=[N]%11c1ccccc1[N]%12=Cc1n%13ccc1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
Title of publication | Novel Chiral and Achiral NCN Pincer Complexes Based on 1,3-Bis(1,2,4-triazol- 1-ylmethyl)benzene |
Authors of publication | Díez-Barra, E.; Guerra, J.; López-Solera, Isabel; Merino, S.; Rodríguez-López, J.; Sánchez-Verdú, P.; Tejeda, J. |
Journal of publication | Organometallics |
Year of publication | 2003 |
a | 17.8715 ± 0.0016 Å |
b | 16.2171 ± 0.0014 Å |
c | 18.1897 ± 0.0016 Å |
α | 90° |
β | 110.655 ± 0.002° |
γ | 90° |
Cell volume | 4932.9 ± 0.8 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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