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Information card for entry 4063537
Preview
Coordinates | 4063537.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H49 N2 P Si Zr |
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Calculated formula | C36 H49 N2 P Si Zr |
SMILES | [Zr]123456([P](c7ccccc7)(C)C)(N(C(C)(C)C)[Si]([c]27[c]3([c]4([c]5([c]67C)C)C)C)(C)C)N(C1c1ccccc1)c1ccccc1 |
Title of publication | Mechanism of the Reaction of Alkynes with a "Constrained Geometry" Zirconaaziridine. PMe3Dissociates More Rapidly from the Constrained Geometry Complex than from its Cp2Analogue |
Authors of publication | Kristian, Kathleen E.; Iimura, Masanori; Cummings, Sarah A.; Norton, Jack R.; Janak, Kevin E.; Pang, Keliang |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 493 - 498 |
a | 12.568 ± 0.003 Å |
b | 17.244 ± 0.005 Å |
c | 16.2 ± 0.005 Å |
α | 90° |
β | 93.348 ± 0.006° |
γ | 90° |
Cell volume | 3504.9 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1559 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4063537.html
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