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Information card for entry 4065073
Preview
Coordinates | 4065073.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H52 N2 P2 |
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Calculated formula | C45 H52 N2 P2 |
SMILES | C(P(c1ccccc1)(c1ccccc1)=NC12CC3CC(C2)CC(C1)C3)P(c1ccccc1)(c1ccccc1)=NC12CC3CC(C1)CC(C2)C3 |
Title of publication | Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl) |
Authors of publication | Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 20 |
Pages of publication | 5314 |
a | 10.5879 ± 0.0011 Å |
b | 11.1951 ± 0.0012 Å |
c | 16.342 ± 0.0012 Å |
α | 107.63 ± 0.008° |
β | 102.177 ± 0.008° |
γ | 92.073 ± 0.009° |
Cell volume | 1794.1 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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