Information card for entry 7035489

Structure parameters

• Formula: C16 H18 Cl2 Mo N2 O3
• Calculated formula: C16 H18 Cl2 Mo N2 O3
• SMILES: [Mo]12(Cl)(Cl)(=Nc3ccccc3Oc3c(N=1)cccc3)[O](C)CC[O]2C
• Title of publication: Molybdenum complexes derived from the oxydianiline [(2-NH2C6H4)2O]: synthesis, characterization and ε-caprolactone ROP capability.
• Authors of publication: Yang, Wenxue; Zhao, Ke-Qing; Redshaw, Carl; Elsegood, Mark R. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13133 - 13140
• a: 14.6075 ± 0.0003 Å
• b: 15.3236 ± 0.0003 Å
• c: 32.3586 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7243.1 ± 0.2 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No