Information card for entry 4075964

Structure parameters

• Formula: C119.5 H167 Mo N4
• Calculated formula: C119.5 H167 Mo N4
• SMILES: [Mo]1234([CH2]=[CH2]1)N(CC[N]4(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)CCN3c1cc(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.Cc1ccccc1
• Title of publication: Some Organometallic Chemistry of Molybdenum Complexes that Contain the [HIPTN3N]3-Triamidoamine Ligand, {[3,5-(2,4,6-i-Pr3C6H2)2C6H3NCH2CH2]3N}3-
• Authors of publication: Byrnes, Matthew J.; Dai, Xuliang; Schrock, Richard R.; Hock, Adam S.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4437
• a: 16.063 ± 0.004 Å
• b: 19.355 ± 0.005 Å
• c: 35.056 ± 0.009 Å
• α: 90°
• β: 91.478 ± 0.008°
• γ: 90°
• Cell volume: 10895 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No