Information card for entry 7122022

Structure parameters

• Formula: C60 H84 Mo2 N4
• Calculated formula: C60 H84 Mo2 N4
• Title of publication: Reactivity of a trans-[H-Mo[quadruple bond, length as m-dash]Mo-H] unit towards alkenes and alkynes: bimetallic migratory insertion, H-elimination and other reactions.
• Authors of publication: Pérez-Jiménez, Marina; Campos, Jesús; López-Serrano, Joaquín; Carmona, Ernesto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9186 - 9189
• a: 12.1639 ± 0.0006 Å
• b: 19.6377 ± 0.0009 Å
• c: 23.5597 ± 0.0011 Å
• α: 90°
• β: 101.505 ± 0.002°
• γ: 90°
• Cell volume: 5514.7 ± 0.5 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: 0.0561
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No