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Information card for entry 7048954
Preview
Coordinates | 7048954.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H128 B4 Na Nd O8 |
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Calculated formula | C64 H128 B4 Na Nd O8 |
SMILES | [B]12(C3CCCC1CCC3)[H][Nd]134([O]5CCCC5)([O]5CCCC5)([H][B]5(C6CCCC5CCC6)[H]1)([H]2)([H][B]1(C2CCCC1CCC2)[H]3)[H][B]1(C2CCCC1CCC2)[H]4.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Stereospecific polymerization of conjugated dienes using neodymium alkylborohydride complexes. |
Authors of publication | Tanaka, Ryo; Shinto, Yuto; Matsuzaki, Ryusei; Nakayama, Yuushou; Shiono, Takeshi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 21 |
Pages of publication | 7267 - 7273 |
a | 11.2257 ± 0.0011 Å |
b | 11.2958 ± 0.0011 Å |
c | 14.3024 ± 0.0014 Å |
α | 77.2071 ± 0.0013° |
β | 80.0236 ± 0.0014° |
γ | 79.6023 ± 0.0013° |
Cell volume | 1722.7 ± 0.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0374 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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