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Information card for entry 4084353
Preview
Coordinates | 4084353.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H59 P Zr |
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Calculated formula | C39 H59 P Zr |
SMILES | [Zr]123456789([P](C)(C)C)([C](=C=C%10C(CCCCC%10(C)C)(C)C)=[C]1=C=C1C(CCCCC1(C)C)(C)C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61 |
Title of publication | Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors |
Authors of publication | Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5220 |
a | 16.421 ± 0.004 Å |
b | 11.638 ± 0.003 Å |
c | 18.611 ± 0.005 Å |
α | 90° |
β | 95.6527 ± 0.0009° |
γ | 90° |
Cell volume | 3539.4 ± 1.6 Å3 |
Cell temperature | 193 K |
Ambient diffraction temperature | 193 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084353.html
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Users of the data should acknowledge the original authors of the
structural data.