Information card for entry 4303470

Structure parameters

• Formula: C19 H33 N O2
• Calculated formula: C19 H33 N O2
• SMILES: N(Cc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)(CCOC)C
• Title of publication: Molybdenum(VI) Dioxo Complexes with Tridentate Phenolate Ligands
• Authors of publication: Martina E. Judmaier; Andreas Wallner; Gregor N. Stipicic; Karl Kirchner; Judith Baumgartner; Ferdinand Belaj; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10211 - 10221
• a: 6.1149 ± 0.0012 Å
• b: 18.279 ± 0.004 Å
• c: 16.726 ± 0.003 Å
• α: 90°
• β: 92.34 ± 0.03°
• γ: 90°
• Cell volume: 1868 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No