Information card for entry 7034096

Structure parameters

• Formula: C68 H96 N2 O4
• Calculated formula: C68 H96 N2 O4
• Title of publication: Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.
• Authors of publication: Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12349 - 12356
• a: 14.643 ± 0.001 Å
• b: 15.4125 ± 0.0011 Å
• c: 16.1202 ± 0.0011 Å
• α: 75.412 ± 0.012°
• β: 69.309 ± 0.011°
• γ: 73.026 ± 0.012°
• Cell volume: 3209.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2856
• Residual factor for significantly intense reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.3418
• Weighted residual factors for all reflections included in the refinement: 0.4837
• 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