Information card for entry 4129422

Structure parameters

• Formula: C26 H49 Cl Mo N P3
• Calculated formula: C26 H49 Cl Mo N P3
• SMILES: [Mo]12(Cl)([P](C(C)(C)C)(C(C)(C)C)CC[P]1(c1ccccc1)CC[P]2(C(C)(C)C)C(C)(C)C)#N
• Title of publication: Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.
• Authors of publication: Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 17
• Pages of publication: 5666 - 5669
• a: 8.5644 ± 0.0006 Å
• b: 20.4505 ± 0.0011 Å
• c: 17.1479 ± 0.0009 Å
• α: 90°
• β: 93.8777 ± 0.0016°
• γ: 90°
• Cell volume: 2996.5 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No