Information card for entry 4323467

Structure parameters

• Common name: cis,cis-Tetrachloro-bis(ethylamido)- bis(trimethylphosphine) ditungsten(III)
• 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 ų
• 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