Information card for entry 7715607

Structure parameters

• Formula: C20 H21 Cl N Nb O6
• Calculated formula: C20 H21 Cl N Nb O6
• SMILES: [Nb]123(Oc4ccc(Cl)cc4[N]3=C(C=C(O1)C)C)(Oc1c(OC)cccc1O2)OCC
• Title of publication: Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.
• Authors of publication: Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 7073 - 7080
• a: 7.93594 ± 0.00017 Å
• b: 11.4858 ± 0.0002 Å
• c: 12.4086 ± 0.0002 Å
• α: 115.75 ± 0.0018°
• β: 90.3226 ± 0.0017°
• γ: 91.8519 ± 0.0016°
• Cell volume: 1017.96 ± 0.04 ų
• Cell temperature: 120 ± 0.16 K
• Ambient diffraction temperature: 120 ± 0.16 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No