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Information card for entry 4086732
Preview
Coordinates | 4086732.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H47 N Zr |
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Calculated formula | C30 H47 N Zr |
SMILES | [Zr]123456789%10([N](=C1CC(=C(C2)C)C)C(C)C)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C |
Title of publication | Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO |
Authors of publication | Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 18 |
Pages of publication | 3163 |
a | 11.0833 ± 0.0008 Å |
b | 15.668 ± 0.0012 Å |
c | 15.4308 ± 0.0012 Å |
α | 90° |
β | 92.605 ± 0.001° |
γ | 90° |
Cell volume | 2676.8 ± 0.4 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.047 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4086732.html
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