Information card for entry 4313024

Structure parameters

• Formula: C146 H174 B F24 Mo N5
• Calculated formula: C146 H174 B F24 Mo N5
• SMILES: [Mo]123(N(CC[N]3(CCN1c1cc(cc(c1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)CCN2c1cc(cc(c1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1cc(cc(c1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[NH3].[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and Reactions of Molybdenum Triamidoamine Complexes Containing Hexaisopropylterphenyl Substituents
• Authors of publication: Dmitry V. Yandulov; Richard R. Schrock; Arnold L. Rheingold; Christopher Ceccarelli; William M. Davis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 796 - 813
• a: 15.608 ± 0.003 Å
• b: 20.491 ± 0.003 Å
• c: 26.085 ± 0.004 Å
• α: 84.788 ± 0.004°
• β: 84.351 ± 0.004°
• γ: 82.914 ± 0.004°
• Cell volume: 8212 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.3028
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No