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Information card for entry 4065352
Preview
Coordinates | 4065352.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H83 I2 N2 Nd O2 P2 |
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Calculated formula | C72 H83 I2 N2 Nd O2 P2 |
SMILES | [Nd]12(C(P(c3ccccc3)(c3ccccc3)=[N]1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)(I)(I)([O]1CCCC1)[O]1CCCC1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1 |
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 | 12.729 ± 0.001 Å |
b | 15.5095 ± 0.0012 Å |
c | 17.2653 ± 0.0013 Å |
α | 82.868 ± 0.002° |
β | 77.062 ± 0.002° |
γ | 85.12 ± 0.002° |
Cell volume | 3290.5 ± 0.4 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.111 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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