Information card for entry 4345147

Structure parameters

• Common name: Mo2-1e
• Formula: C50 H48 Mo2 N6 O9
• Calculated formula: C50 H48 Mo2 N6 O9
• SMILES: [Mo]1234[Mo]([O]=C(O1)c1ccoc1)(N(c1ccc(OC)cc1)C=[N]3c1ccc(OC)cc1)(N(C=[N]4c1ccc(OC)cc1)c1ccc(OC)cc1)N(c1ccc(OC)cc1)C=[N]2c1ccc(OC)cc1
• 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: 12.3493 ± 0.0018 Å
• b: 14.3041 ± 0.0017 Å
• c: 15.415 ± 0.002 Å
• α: 107.527 ± 0.003°
• β: 110.704 ± 0.004°
• γ: 100.444 ± 0.001°
• Cell volume: 2299 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No