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Information card for entry 4079500
Preview
Coordinates | 4079500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H58 B N11 O P Y |
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Calculated formula | C40 H58 B N11 O P Y |
SMILES | [Y]123456([O]=P(N(C)C)(N(C)C)N(C)C)([n]7n([BH](n8[n]1c(cc8C)C)n1[n]2c(cc1C)C)c(C)cc7C)(Nc1c(cccc1)C#N)[cH]1[cH]6[cH]5[cH]4[cH]31.c1(ccccc1)C |
Title of publication | Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles |
Authors of publication | Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 20 |
Pages of publication | 7213 |
a | 11.085 ± 0.004 Å |
b | 18.454 ± 0.007 Å |
c | 43.113 ± 0.017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8819 ± 6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.2106 |
Residual factor for significantly intense reflections | 0.1337 |
Weighted residual factors for significantly intense reflections | 0.3208 |
Weighted residual factors for all reflections included in the refinement | 0.3519 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
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/4079500.html
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Users of the data should acknowledge the original authors of the
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