Information card for entry 4080850

Structure parameters

• Common name: oemw [W(PNP-iPr)(CO)3].THF.1/2hexane (5b.THF.1/2hexane)
• Chemical name: [W(PNP-iPr)(CO)3].THF.1/2hexane (5b.THF.1/2hexane)
• Formula: C27 H48 N3 O4 P2 W
• Calculated formula: C24 H41 N3 O4 P2 W
• Title of publication: Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.
• Authors of publication: Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3042 - 3052
• a: 10.1399 ± 0.001 Å
• b: 15.5053 ± 0.0018 Å
• c: 20.036 ± 0.002 Å
• α: 90°
• β: 94.485 ± 0.005°
• γ: 90°
• Cell volume: 3140.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No