Information card for entry 7034095

Structure parameters

• Formula: C64 H90 O4
• Calculated formula: C64 H90 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: 11.778 ± 0.011 Å
• b: 15.19 ± 0.015 Å
• c: 18.55 ± 0.02 Å
• α: 68.19 ± 0.03°
• β: 83.42 ± 0.05°
• γ: 69.19 ± 0.04°
• Cell volume: 2880 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1921
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2572
• Weighted residual factors for all reflections included in the refinement: 0.3131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No