Information card for entry 2006986

Structure parameters

• Chemical name: bis(dimethylamine)-trichloro-tris(tert-butyloxy)-ditungsten
• Formula: C16 H41 Cl3 N2 O3 W2
• Calculated formula: C16 H41 Cl3 N2 O3 W2
• SMILES: [W]([W](Cl)(Cl)([NH](C)C)OC(C)(C)C)(Cl)([NH](C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~]
• Authors of publication: Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 225 - 227
• a: 13.705 ± 0.002 Å
• b: 32.939 ± 0.004 Å
• c: 11.6224 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5246.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0844
• Goodness-of-fit parameter for all reflections: 1.14
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No