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Information card for entry 4065961
Preview
Coordinates | 4065961.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (N3N)ZrN=C(PPh2)Ph, 5 |
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Formula | C34 H54 N5 P Si3 Zr |
Calculated formula | C34 H54 N5 P Si3 Zr |
SMILES | [Zr]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)N=C(P(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Insertion Reactions and Catalytic Hydrophosphination by Triamidoamine-Supported Zirconium Complexes |
Authors of publication | Roering, Andrew J.; Leshinski, Sarah E.; Chan, Stephanie M.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 11 |
Pages of publication | 2557 |
a | 10.1235 ± 0.0004 Å |
b | 12.0108 ± 0.0005 Å |
c | 17.5314 ± 0.0008 Å |
α | 88.382 ± 0.001° |
β | 87.427 ± 0.001° |
γ | 69.172 ± 0.001° |
Cell volume | 1990.19 ± 0.15 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections included in the refinement | 0.0722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4065961.html
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Users of the data should acknowledge the original authors of the
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