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Information card for entry 4069919
Preview
Coordinates | 4069919.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H66 B10 N6 Zr |
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Calculated formula | C28 H66 B10 N6 Zr |
SMILES | [Zr]123([C]4567[C]89%101[BH]1%116[BH]6%127[BH]7%134[BH]45%10[BH]5%10%13[BH]%13%127[BH]7%116[BH]681[BH]945[BH]%10%1376)([N](C(C)C)=C(N2C(C)C)N(CCC)CCC)[N](C(C)C)=C(N3C(C)C)N(CCC)CCC |
Title of publication | Synthesis and Structural Characterization of Zirconium−Carboryne Complexes |
Authors of publication | Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 19 |
Pages of publication | 5749 |
a | 12.3832 ± 0.0019 Å |
b | 16.059 ± 0.003 Å |
c | 20.427 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4062.2 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1428 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1724 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
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/4069919.html
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Users of the data should acknowledge the original authors of the
structural data.