Information card for entry 2200337

Structure parameters

• Formula: C44 H64 N4 Si2 W
• Calculated formula: C44 H64 N4 Si2 W
• SMILES: [W]1(N([Si](C)(C)C)c2c(c3c(N1[Si](C)(C)C)cccc3C)c(ccc2)C)([N]c1c(cccc1C(C)C)C(C)C)[N]c1c(cccc1C(C)C)C(C)C
• Title of publication: A chelate-stabilized tungsten‒bis(imido) complex
• Authors of publication: Mills, Ryan C.; Boncella, James M.; Abboud, Khalil A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m218 - m219
• a: 17.48 ± 0.002 Å
• b: 11.443 ± 0.002 Å
• c: 21.889 ± 0.003 Å
• α: 90°
• β: 91.95 ± 0.02°
• γ: 90°
• Cell volume: 4375.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes