Information card for entry 7713967

Structure parameters

• Formula: C82 H128 I6 Mo2 N2 P4
• Calculated formula: C82 H128 I6 Mo2 N2 P4
• Title of publication: Design, synthesis and reactivity of dimolybdenum complex bearing quaterphenylene-bridged pyridine-based PNP-type pincer ligand
• Authors of publication: Eizawa, Aya; Arashiba, Kazuya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 17.932 ± 0.0004 Å
• b: 19.0778 ± 0.0004 Å
• c: 30.6795 ± 0.0008 Å
• α: 90°
• β: 105.233 ± 0.002°
• γ: 90°
• Cell volume: 10126.8 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No