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Information card for entry 7212747
Preview
Coordinates | 7212747.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H21 I2 P |
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Calculated formula | C21 H21 I2 P |
SMILES | I[I][P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C |
Title of publication | Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I) |
Authors of publication | Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 12 |
Pages of publication | 4240 |
a | 11.4271 ± 0.0004 Å |
b | 12.1665 ± 0.0005 Å |
c | 18.3475 ± 0.0007 Å |
α | 90° |
β | 126.422 ± 0.002° |
γ | 90° |
Cell volume | 2052.55 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1287 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.146 |
Weighted residual factors for all reflections included in the refinement | 0.1832 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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