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Information card for entry 4064490
Preview
Coordinates | 4064490.cif |
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Original paper (by DOI) | HTML |
Formula | C88 H106 Cl4 O6 Ta2 |
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Calculated formula | C88 H106 Cl4 O6 Ta2 |
Title of publication | Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring |
Authors of publication | Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 13 |
Pages of publication | 3512 |
a | 16.359 ± 0.001 Å |
b | 17.981 ± 0.001 Å |
c | 19.781 ± 0.001 Å |
α | 116.445 ± 0.006° |
β | 98.994 ± 0.005° |
γ | 97.308 ± 0.005° |
Cell volume | 5016.6 ± 0.6 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0912 |
Residual factor for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections | 0.2087 |
Weighted residual factors for significantly intense reflections | 0.1757 |
Weighted residual factors for all reflections included in the refinement | 0.2087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0755 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064490.html
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