Information card for entry 1508152

Structure parameters

• Formula: C23.75 H44.5 Cl4.5 Mo N P2
• Calculated formula: C23.7525 H43 Cl4.505 Mo N 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: 28.6387 ± 0.0012 Å
• b: 14.9963 ± 0.0008 Å
• c: 19.6011 ± 0.0007 Å
• α: 90°
• β: 125.48 ± 0.001°
• γ: 90°
• Cell volume: 6855.1 ± 0.5 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No