Information card for entry 4306127

Structure parameters

• Formula: C36 H57 N6 O3 Y
• Calculated formula: C36 H57 N6 O3 Y
• Title of publication: Comparisons between Yttrium and Titanium N-Heterocyclic Carbene Complexes in the Search for Early Transition Metal NHC Backbonding Interactions
• Authors of publication: Polly L. Arnold; Sergey Zlatogorsky; Natalie A. Jones; Christopher D. Carmichael; Stephen T. Liddle; Alexander J. Blake; Claire Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9042 - 9049
• a: 19.4197 ± 0.0008 Å
• b: 10.5484 ± 0.0004 Å
• c: 39.2849 ± 0.0017 Å
• α: 90°
• β: 95.94 ± 0.003°
• γ: 90°
• Cell volume: 8004.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1308
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No