Information card for entry 4077756

Structure parameters

• Formula: C22 H45 O3 P W
• Calculated formula: C22 H45 O3 P W
• SMILES: [W]12([P](OC(C)(C)C)(C=1C(C)(C)C)C=2C(C)(C)C)(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: 9.623 ± 0.001 Å
• b: 18.272 ± 0.001 Å
• c: 30.565 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5374.3 ± 1.5 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No