Information card for entry 7034093

Structure parameters

• Formula: C83.3 H117.41 Cl4 N5.5 Nb2 O6
• Calculated formula: C83.298 H117.412 Cl4 N5.5 Nb2 O6
• 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: 12.6086 ± 0.0009 Å
• b: 16.8197 ± 0.0012 Å
• c: 21.7135 ± 0.0015 Å
• α: 89.714 ± 0.002°
• β: 86.846 ± 0.002°
• γ: 73.006 ± 0.002°
• Cell volume: 4396.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0658
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No