Information card for entry 7023120

Structure parameters

• Formula: C23 H32 Cl2 N Nb O4
• Calculated formula: C23 H32 Cl2 N Nb O4
• SMILES: c12c(cc(cc1C=[N](c1ccc(cc1)OC)[Nb](Cl)(Cl)(O2)(OCC)OCC)C)C(C)(C)C
• Title of publication: Imino phenoxide complexes of niobium and tantalum as catalysts for the polymerization of lactides, ε-caprolactone and ethylene.
• Authors of publication: Saha, Tanmoy Kumar; Mandal, Mrinmay; Thunga, Madhubabu; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10304 - 10314
• a: 8.176 ± 0.0003 Å
• b: 23.9385 ± 0.0009 Å
• c: 13.5896 ± 0.0006 Å
• α: 90°
• β: 94.923 ± 0.002°
• γ: 90°
• Cell volume: 2649.96 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No