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Information card for entry 4108242
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Coordinates | 4108242.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (BDI)Me2Nb(NCMe3) |
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Formula | C35 H56 N3 Nb |
Calculated formula | C35 H56 N3 Nb |
SMILES | [Nb]1(=NC(C)(C)C)([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)(C)C |
Title of publication | An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex |
Authors of publication | Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11262 - 11263 |
a | 10.5097 ± 0.0012 Å |
b | 13.1602 ± 0.0015 Å |
c | 25.006 ± 0.003 Å |
α | 90° |
β | 93.528 ± 0.002° |
γ | 90° |
Cell volume | 3452 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
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/4108242.html
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Users of the data should acknowledge the original authors of the
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