Information card for entry 7034094

Structure parameters

• Formula: C137 H189.5 Cl N4.5 Nb O8
• Calculated formula: C136.5 H188.75 Cl N4.25 Nb O8
• 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: 30.358 ± 0.002 Å
• b: 17.6674 ± 0.0012 Å
• c: 24.5131 ± 0.0017 Å
• α: 90°
• β: 93.6385 ± 0.0017°
• γ: 90°
• Cell volume: 13121 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No