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Information card for entry 4107748
Preview
Coordinates | 4107748.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 Zr |
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Calculated formula | C25 H34 Zr |
SMILES | [cH]12[cH]3[Zr]456789%10%11%12%132([cH]1[c]14[c]5([c]%13[c]%10([c]91[cH]38)C(C)C)C(C)C)[c]1([c]6([c]7(C)[c]%12([c]%111C)C)C)C |
Title of publication | Indenyl Zirconium Dinitrogen Chemistry: N2 Coordination to an Isolated Zirconium Sandwich and Synthesis of Side-on, End-on Dinitrogen Compounds |
Authors of publication | Doris Pun; Emil Lobkovsky; Paul J. Chirik |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6047 - 6054 |
a | 12.4012 ± 0.0003 Å |
b | 16.6358 ± 0.0006 Å |
c | 10.2988 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2124.68 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4107748.html
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Users of the data should acknowledge the original authors of the
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