Information card for entry 4345146

Structure parameters

• Formula: C57 H61 Mo2 N7 O9.5
• Calculated formula: C57 H61 Mo2 N7 O9.5
• SMILES: [Mo]1234[Mo]([O]=C(O1)c1cccnc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)N(C=[N]4c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCCC1.O1CCCC1
• Title of publication: Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity.
• Authors of publication: Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 634 - 644
• a: 13.514 ± 0.005 Å
• b: 19.201 ± 0.005 Å
• c: 23.132 ± 0.005 Å
• α: 66.515 ± 0.005°
• β: 81.976 ± 0.005°
• γ: 71.66 ± 0.005°
• Cell volume: 5225 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No