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Information card for entry 4111448
Preview
Coordinates | 4111448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H33 F12 Ir N5 O P2 S |
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Calculated formula | C25 H33 F12 Ir N5 O P2 S |
Title of publication | IrII(ethene): Metal or Carbon Radical? |
Authors of publication | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 1895 - 1905 |
a | 12.5 ± 0.002 Å |
b | 12.837 ± 0.004 Å |
c | 13.093 ± 0.005 Å |
α | 61.49 ± 0.03° |
β | 75.105 ± 0.019° |
γ | 68.503 ± 0.018° |
Cell volume | 1709 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for all reflections | 0.1101 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1101 |
Goodness-of-fit parameter for all reflections | 1.093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/4111448.html
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