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Information card for entry 4065343
Preview
Coordinates | 4065343.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H63 N2 O4 P2 Rb |
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Calculated formula | C51 H63 N2 O4 P2 Rb |
SMILES | [Rb]123([N](=P(C=P(c4ccccc4)(c4ccccc4)N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)([O](C)CC[O]2C)[O](C)CC[O]3C |
Title of publication | Group 1 Bis(iminophosphorano)methanides, Part 2:N-Aryl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = 2,4,6-trimethylphenyl or 2,6-diisopropylphenyl) |
Authors of publication | Wooles, Ashley J.; Gregson, Matthew; Robinson, Sarah; Cooper, Oliver J.; 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 | 5326 |
a | 11.1549 ± 0.0004 Å |
b | 12.6068 ± 0.0004 Å |
c | 17.4105 ± 0.0006 Å |
α | 100.16 ± 0.003° |
β | 91.234 ± 0.003° |
γ | 93.885 ± 0.003° |
Cell volume | 2403.07 ± 0.14 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0366 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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