Information card for entry 2016886

Structure parameters

• Chemical name: Bis[1,2-(diphenylphosphino)ethane]bromido{chloro[3- (triphenylphosphonio)cyclopentadienylidene]diazomethanediido}tungsten(IV) hexafluorophosphate dichloromethane 0.6-solvate
• Formula: C76.6 H67.2 Br Cl2.2 F6 N2 P6 W
• Calculated formula: C76 H66 Br Cl F6 N2 P6 W
• Title of publication: A tungsten complex containing a highly delocalized metal‒ligand system
• Authors of publication: Colquhoun, Howard M.; Chippindale, Ann M.; Chan, Yun Fu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m390 - m393
• a: 18.2621 ± 0.001 Å
• b: 14.706 ± 0.001 Å
• c: 28.934 ± 0.002 Å
• α: 90°
• β: 98.236 ± 0.003°
• γ: 90°
• Cell volume: 7690.4 ± 0.9 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes