Information card for entry 7122021

Structure parameters

• Formula: C122 H144 Mo2 N4 O2
• Calculated formula: C122 H144 Mo2 N4 O2
• 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: 12.1566 ± 0.0003 Å
• b: 12.4253 ± 0.0003 Å
• c: 17.8335 ± 0.0005 Å
• α: 99.015 ± 0.001°
• β: 93.299 ± 0.001°
• γ: 101.706 ± 0.001°
• Cell volume: 2593.99 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No