Information card for entry 4311115

Structure parameters

• Chemical name: Tris[bis(ethylamido)phenylborane]dimolybdenum(iii)
• Formula: C36 H59 B3 Mo2 N6
• Calculated formula: C36 H59 B3 Mo2 N6
• Title of publication: Eclipsed M2X6 Compounds Exhibiting Very Short Metal-Metal Triple Bonds
• Authors of publication: David R. Manke; Zhi-Heng Loh; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3618 - 3624
• a: 19.7976 ± 0.0014 Å
• b: 9.4329 ± 0.0006 Å
• c: 23.6392 ± 0.0016 Å
• α: 90°
• β: 114.356 ± 0.001°
• γ: 90°
• Cell volume: 4021.7 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No