Information card for entry 4077753

Structure parameters

• Formula: C34 H57 O3 P W
• Calculated formula: C34 H57 O3 P W
• SMILES: [W]12([P](OC(C)(C)C)(C=1C13CC4CC(C1)CC(C3)C4)C=2C12CC3CC(C1)CC(C2)C3)(OC(C)(C)C)OC(C)(C)C
• Title of publication: An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†
• Authors of publication: Scheer, Manfred; Kramkowski, Peter; Schuster, Kay
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2874
• a: 10.141 ± 0.001 Å
• b: 10.96 ± 0.001 Å
• c: 31.183 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3465.8 ± 0.6 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.1259
• Weighted residual factors for significantly intense reflections: 0.1167
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No