Information card for entry 7709155

Structure parameters

• Formula: C37 H55 Cl I Mo N2 O P2
• Calculated formula: C37 H54 Cl I Mo N2 O P2
• SMILES: I[Mo]12(Cl)([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)=NC(=O)C(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.
• Authors of publication: Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1946 - 1954
• a: 11.3993 ± 0.0003 Å
• b: 24.5388 ± 0.0004 Å
• c: 15.2165 ± 0.0003 Å
• α: 90°
• β: 106.053 ± 0.002°
• γ: 90°
• Cell volume: 4090.46 ± 0.16 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0721
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No