Information card for entry 1548321

Structure parameters

• Formula: C24 H43 Cl F3 Mo N2 O3 P2 S
• Calculated formula: C24 H43 Cl F3 Mo N2 O3 P2 S
• SMILES: [Mo]12(Cl)([P](C(C)(C)C)(C(C)(C)C)Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)#N.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia
• Authors of publication: Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi
• Journal of publication: Nature Communications
• Year of publication: 2014
• Journal volume: 5
• Pages of publication: 3737
• a: 33.3044 ± 0.0007 Å
• b: 15.2043 ± 0.0003 Å
• c: 13.0074 ± 0.0003 Å
• α: 90°
• β: 109.784 ± 0.0007°
• γ: 90°
• Cell volume: 6197.8 ± 0.2 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 K
• Number of distinct elements: 9
• 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: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No