Information card for entry 4323466

Structure parameters

• Common name: cis,cis-Tetrachloro-bis(n-butylamido)- bis(trimethylphosphine) ditungsten(III)
• Chemical name: 1,1,2,2-Tetrachloro-1,2-bis(n-butylamido)- -(cis,cis)-1,2-bis(trimethylphosphine) ditungsten(III)
• Formula: C14 H38 Cl4 N2 P2 W2
• Calculated formula: C14 H38 Cl4 N2 P2 W2
• SMILES: [W]([W]([P](C)(C)C)(Cl)(Cl)NCCCC)([P](C)(C)C)(Cl)(Cl)NCCCC
• 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: 8.5429 ± 0.0008 Å
• b: 18.393 ± 0.002 Å
• c: 16.957 ± 0.003 Å
• α: 90°
• β: 90.264 ± 0.005°
• γ: 90°
• Cell volume: 2664.4 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 0.961
• Goodness-of-fit parameter for significantly intense reflections: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No