Information card for entry 7036384

Structure parameters

• Formula: C59.5 H84 N O3 P W
• Calculated formula: C57 H78 N O3 P W
• Title of publication: A new ONO(3-) trianionic pincer ligand with intermediate flexibility and its tungsten alkylidene and alkylidyne complexes.
• Authors of publication: VenkatRamani, Sudarsan; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18475 - 18486
• a: 14.1363 ± 0.0003 Å
• b: 17.4732 ± 0.0004 Å
• c: 22.8371 ± 0.0004 Å
• α: 90°
• β: 99.3665 ± 0.0011°
• γ: 90°
• Cell volume: 5565.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No