Information card for entry 7113945

Structure parameters

• Formula: C117 H109 F6 Nb O6 P S2
• Calculated formula: C117 H109 F6 Nb O6 P S2
• Title of publication: Binary role of an ylide in formation of a terminal methylidene complex of niobium
• Authors of publication: Keith Searles; Karlijn Keijzer; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6267
• a: 15.1935 ± 0.0009 Å
• b: 17.4577 ± 0.001 Å
• c: 20.9931 ± 0.0012 Å
• α: 96.128 ± 0.003°
• β: 98.445 ± 0.003°
• γ: 113.251 ± 0.003°
• Cell volume: 4976.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No