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Information card for entry 7104239
Preview
Coordinates | 7104239.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H6 F12 N2 O2 Pd |
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Calculated formula | C16 H6 F12 N2 O2 Pd |
SMILES | [Pd]12(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[n]1ccccc1c1n2c(cc1C(F)(F)F)C(F)(F)F |
Title of publication | Unsuspected mesomorphism in "tail-free" cyclopalladated 3,5-disubstituted-2-(2'-pyridyl)pyrroles. |
Authors of publication | Pucci, Daniela; Aiello, Iolinda; Aprea, Alessia; Bellusci, Anna; Crispini, Alessandra; Ghedini, Mauro |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 12 |
Pages of publication | 1550 - 1552 |
a | 13.289 ± 0.006 Å |
b | 16.499 ± 0.01 Å |
c | 19.408 ± 0.008 Å |
α | 83.77 ± 0.02° |
β | 85.485 ± 0.015° |
γ | 66.752 ± 0.018° |
Cell volume | 3884 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0782 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7104239.html
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