Information card for entry 7023442

Structure parameters

• Common name: AGhosh-3
• Chemical name: Co(III) Schiff-base dianion, bromide; CH3CN solvate
• Formula: C16 H21 Br Cl2 Co N5 O2
• Calculated formula: C16 H21 Br Cl2 Co N5 O2
• SMILES: C1(C(=O)N2c3cc(c(cc3N3[Co]2([NH2]1)([N]#CC)(Br)[NH2]C(C)(C)C3=O)Cl)Cl)(C)C
• Title of publication: Synthesis and characterization of Co(III) amidoamine complexes: influence of substituents of the ligand on catalytic cyclic carbonate synthesis from epoxide and carbon dioxide.
• Authors of publication: Ramidi, Punnamchandar; Gerasimchuk, Nikolay; Gartia, Yashraj; Felton, Charlette M.; Ghosh, Anindya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13151 - 13160
• a: 10.2678 ± 0.0006 Å
• b: 13.4525 ± 0.0008 Å
• c: 14.9665 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2067.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No