Information card for entry 1508155

Structure parameters

• Formula: C31 H53 B F5 Mo N4 P2
• Calculated formula: C31 H50 B F5 Mo N4 P2
• Title of publication: A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia.
• Authors of publication: Arashiba, Kazuya; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 120 - 125
• a: 34.4412 ± 0.0013 Å
• b: 11.1522 ± 0.0003 Å
• c: 20.6925 ± 0.0007 Å
• α: 90°
• β: 111.63 ± 0.0011°
• γ: 90°
• Cell volume: 7388.2 ± 0.4 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No