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Information card for entry 2228704
Preview
Coordinates | 2228704.cif |
---|---|
Structure factors | 2228704.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol- 2-ylidene]dichloridodinitrosyltungsten(II) tetrahydrofuran-<i>d</i>~8~ monosolvate |
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Formula | C46 H48 Cl2 D8 N6 O3 W |
Calculated formula | C46 H48 Cl2 D8 N6 O3 W |
SMILES | [W](Cl)(Cl)(N=O)(N=O)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H] |
Title of publication | Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene]dichloridodinitrosyltungsten(II) tetrahydrofuran-<i>d</i>~8~ monosolvate |
Authors of publication | Fraga-Hernández, Javier; Blacque, Olivier; Berke, Heinz |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m31 |
a | 11.3861 ± 0.0007 Å |
b | 13.0517 ± 0.0009 Å |
c | 17.0448 ± 0.0011 Å |
α | 81.245 ± 0.008° |
β | 72.473 ± 0.007° |
γ | 68.983 ± 0.007° |
Cell volume | 2251.9 ± 0.3 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2228704.html
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