Information card for entry 7126611

Structure parameters

• Formula: C52 H100 I2 Li2 Mo2 N4 O2 P4
• Calculated formula: C52 H91 I2 Li2 Mo2 N4 O2 P4
• Title of publication: Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.
• Authors of publication: Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 51
• Pages of publication: 6933 - 6936
• a: 15.3229 ± 0.0006 Å
• b: 20.668 ± 0.0009 Å
• c: 20.2145 ± 0.0009 Å
• α: 90°
• β: 101.531 ± 0.007°
• γ: 90°
• Cell volume: 6272.6 ± 0.5 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 K
• Number of distinct elements: 8
• 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: 0.1448
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No