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Information card for entry 4064021
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4064021.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H25 Cl2 N2 S Ta |
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Calculated formula | C22 H25 Cl2 N2 S Ta |
SMILES | c12c(cccc1)[S]1c3ccccc3N[Ta]34561([c]1([c]6(C)[c]3([c]4([c]51C)C)C)C)(Cl)(Cl)N2 |
Title of publication | Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety |
Authors of publication | Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 6 |
Pages of publication | 1551 |
a | 14.218 ± 0.007 Å |
b | 15.612 ± 0.008 Å |
c | 19.372 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4300 ± 4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.126 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1263 |
Weighted residual factors for all reflections included in the refinement | 0.1611 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064021.html
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Users of the data should acknowledge the original authors of the
structural data.