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Information card for entry 4065409
Preview
Coordinates | 4065409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H69 B10 N4 Ta |
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Calculated formula | C38 H69 B10 N4 Ta |
SMILES | [Ta]1234567(N(C(=NC8CCCCC8)C7)C7CCCCC7)([N](C7CCCCC7)=C(N1C1CCCCC1)C)[C]1789[C]%10%11%12(C(C)(C)[c]%132[cH]6[cH]5[cH]4[cH]3%13)[BH]231[BH]14%10[BH]56%11[BH]%107%12[BH]7%116[BH]645[BH]431[BH]182[BH]9%107[BH]%11641 |
Title of publication | Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand |
Authors of publication | Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5960 |
a | 10.0569 ± 0.0003 Å |
b | 12.5761 ± 0.0004 Å |
c | 17.6838 ± 0.0005 Å |
α | 73.0636 ± 0.001° |
β | 84.173 ± 0.001° |
γ | 79.8577 ± 0.001° |
Cell volume | 2103.15 ± 0.11 Å3 |
Cell temperature | 113 K |
Ambient diffraction temperature | 113 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.047 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
Diffraction radiation wavelength | 0.71075 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/4065409.html
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Users of the data should acknowledge the original authors of the
structural data.