Information card for entry 7225087

Structure parameters

• Chemical name: 2a
• Formula: C23 H41 Cl3 N Nb O4
• Calculated formula: C23.0004 H41.0013 Cl3 N Nb O4
• Title of publication: Zwitterionic niobium and tantalum complexes with bidentate aminophenol scaffolds: Synthesis, structural characterization and use in the ring opening polymerization of lactides
• Authors of publication: Roymuhury, Sagnik Kumar; Chakraborty, Debashis; V, Ramkumar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 18.0256 ± 0.0014 Å
• b: 15.4212 ± 0.0011 Å
• c: 10.3922 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2888.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No