Information card for entry 4075883

Structure parameters

• Formula: C33 H54 Mo N6 Si2
• Calculated formula: C33 H54 Mo N6 Si2
• SMILES: [Mo]1(=Nc2ccccc2)(N(c2c(N1[Si](C)(C)C)cccc2)[Si](C)(C)C)(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C
• Title of publication: Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides
• Authors of publication: Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6310
• a: 10.4614 ± 0.0006 Å
• b: 18.571 ± 0.001 Å
• c: 19.715 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3830.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No