Information card for entry 7048692

Structure parameters

• Formula: C33 H51 Fe I3 Mo N P2
• Calculated formula: C33 H51 Fe I3 Mo N P2
• Title of publication: Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation
• Authors of publication: Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 14.837 ± 0.0005 Å
• b: 18.7561 ± 0.0005 Å
• c: 17.0679 ± 0.0005 Å
• α: 90°
• β: 90.45 ± 0.006°
• γ: 90°
• Cell volume: 4749.6 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No