Information card for entry 1508153

Structure parameters

• Formula: C52 H100 Mo2 N12 P4
• Calculated formula: C52 H86 Mo2 N12 P4
• 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: 36.3354 ± 0.0007 Å
• b: 36.3354 ± 0.0007 Å
• c: 24.3428 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27833.1 ± 0.9 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No