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Information card for entry 4076149
Preview
Coordinates | 4076149.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H38 B9 Hf N O Si |
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Calculated formula | C14 H38 B9 Hf N O Si |
SMILES | [Hf]123456([N](CC[C]7891[CH]1%102[BH]2%114[BH]4%125[BH]567[BH]67%12[BH]%12%114[BH]4%102[BH]281[BH]956[BH]7%1242)(C)C3)([O]1CCCC1)C[Si](C)(C)C |
Title of publication | Highly Electrophilic Half-Sandwich Group 4 Metallacarborane Alkyls. C−H/C−O Activation and Alkyne Insertion Reactions at Neutral Metal Complexes |
Authors of publication | Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2005 |
Journal volume | 24 |
Journal issue | 22 |
Pages of publication | 5217 |
a | 27.5013 ± 0.0015 Å |
b | 10.6833 ± 0.0006 Å |
c | 18.5513 ± 0.001 Å |
α | 90° |
β | 96.034 ± 0.001° |
γ | 90° |
Cell volume | 5420.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0749 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1537 |
Weighted residual factors for all reflections included in the refinement | 0.1733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
Diffraction radiation wavelength | 0.71073 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/4076149.html
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Users of the data should acknowledge the original authors of the
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