Information card for entry 4079733

Structure parameters

• Formula: C72 H88 Mo2 N12 P4
• Calculated formula: C72 H70 Mo2 N12 P4
• Title of publication: Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands
• Authors of publication: Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8437
• a: 19.8028 ± 0.0004 Å
• b: 14.0359 ± 0.0003 Å
• c: 26.7018 ± 0.0005 Å
• α: 90°
• β: 105.015 ± 0.0007°
• γ: 90°
• Cell volume: 7168.4 ± 0.3 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 K
• Number of distinct elements: 5
• 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: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No