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Information card for entry 4080205
Preview
Coordinates | 4080205.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H68 I N4 O P2 Si2 Y |
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Calculated formula | C48 H68 I N4 O P2 Si2 Y |
SMILES | [Y]123(C(P(c4ccccc4)(c4ccccc4)=[N]1[Si](C)(C)C)(P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)/C(=N\C1CCCCC1)N3C1CCCCC1)([O]1CCCC1)I |
Title of publication | Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2) |
Authors of publication | Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 5 |
Pages of publication | 1239 |
a | 11.8218 ± 0.0003 Å |
b | 13.8371 ± 0.0004 Å |
c | 16.316 ± 0.0004 Å |
α | 92.766 ± 0.002° |
β | 99.723 ± 0.002° |
γ | 107.467 ± 0.002° |
Cell volume | 2495.39 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1103 |
Residual factor for significantly intense reflections | 0.0741 |
Weighted residual factors for significantly intense reflections | 0.1405 |
Weighted residual factors for all reflections included in the refinement | 0.1569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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