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Information card for entry 4323467
Preview
Coordinates | 4323467.cif |
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Original paper (by DOI) | HTML |
Common name | cis,cis-Tetrachloro-bis(ethylamido)- bis(trimethylphosphine) ditungsten(III) |
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Chemical name | 1,1,2,2-Tetrachloro-1,2-bis(ethylamido)-(cis,cis)- 1,2-bis(trimethylphosphine)ditungsten(III) |
Formula | C10 H30 Cl4 N2 P2 W2 |
Calculated formula | C10 H30 Cl4 N2 P2 W2 |
SMILES | C[P](C)([W](Cl)(NCC)([W](NCC)([P](C)(C)C)(Cl)Cl)Cl)C |
Title of publication | W2Cl4(NR2)2(PR'3)2 Molecules. 8. Synthesis and Structural Characterization of Both Cis Isomers of Stoichiometry W2Cl4(NHR)2(PMe3)2, R = Et, Prn, and Bun. Direct Evidence Favoring an Internal Flip Mechanism for Cis-Trans Isomerization |
Authors of publication | F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 2670 - 2677 |
a | 7.4366 ± 0.0002 Å |
b | 8.8618 ± 0.0006 Å |
c | 9.352 ± 0.001 Å |
α | 105.262 ± 0.006° |
β | 109.2 ± 0.01° |
γ | 94.423 ± 0.009° |
Cell volume | 552.37 ± 0.09 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 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 | 0.0332 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for all reflections | 0.0838 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Goodness-of-fit parameter for all reflections | 1.096 |
Goodness-of-fit parameter for significantly intense reflections | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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