Information card for entry 4345149

Structure parameters

• Formula: C50 H50 Cl Mo2 N7 O6
• Calculated formula: C50 H50 Cl Mo2 N7 O6
• SMILES: [Mo]123([Mo](Cl)(N(C=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)[n]1ccccc1
• 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: 13.045 ± 0.002 Å
• b: 9.6531 ± 0.0016 Å
• c: 37.691 ± 0.011 Å
• α: 90°
• β: 90.098 ± 0.013°
• γ: 90°
• Cell volume: 4746.2 ± 1.8 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No