Information card for entry 4075884

Structure parameters

• Formula: C58 H73 Mo N7 O Si2
• Calculated formula: C54 H63 Mo N7 Si2
• SMILES: [Mo]12(=Nc3ccccc3)([N](=C1N(c1c(cccc1C)C)[Si](C)(C)C)c1c(N=C2N(c2c(cccc2C)C)[Si](C)(C)C)cccc1)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)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: 11.4653 ± 0.0012 Å
• b: 13.799 ± 0.0014 Å
• c: 20.264 ± 0.002 Å
• α: 90.006 ± 0.002°
• β: 100.229 ± 0.002°
• γ: 112.571 ± 0.002°
• Cell volume: 2905.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0868
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No