Information card for entry 7048687

Structure parameters

• Formula: C29 H47 I Mo N2 P2
• Calculated formula: C29 H27 I Mo N2 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: 19.962 ± 0.002 Å
• b: 18.924 ± 0.002 Å
• c: 18.744 ± 0.002 Å
• α: 90°
• β: 114.643 ± 0.008°
• γ: 90°
• Cell volume: 6435.9 ± 1.2 ų
• Cell temperature: 181 K
• Ambient diffraction temperature: 181 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1882
• Residual factor for significantly intense reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2443
• 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