Information card for entry 7009000

Structure parameters

• Formula: C18 H30 N4 O2 Si2 W
• Calculated formula: C18 H30 N4 O2 Si2 W
• SMILES: [W]12(=O)(=O)(N([Si](C)(C)C)c3[n]1c(ccc3)C)N([Si](C)(C)C)c1[n]2c(ccc1)C
• Title of publication: Synthesis and structures of dioxo-Mo(VI) and -W(VI) amides
• Authors of publication: Kay Lee, Hung; Wong, Yee-Lok; Zhou, Zhong-Yuan; Zhang, Ze-Ying; Ng, Dennis K. P.; Mak, Thomas C. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 539
• a: 13.965 ± 0.003 Å
• b: 11.848 ± 0.002 Å
• c: 14.239 ± 0.003 Å
• α: 90°
• β: 97.91 ± 0.03°
• γ: 90°
• Cell volume: 2333.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No