Information card for entry 2004827

Structure parameters

• Formula: C17 H27 Cl Cu F6 N3 O4 P
• Calculated formula: C17 H27 Cl Cu F6 N3 O6 P
• Title of publication: A Copper(II) Complex of a Macrocyclic Schiff Base Ligand with a Polyether Bridge
• Authors of publication: Alcock, N. W.; Busch, D. H.; Vance, A. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1134 - 1136
• a: 26.618 ± 0.009 Å
• b: 8.95 ± 0.004 Å
• c: 10.889 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2594.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections: 0.1768
• Weighted residual factors for significantly intense reflections: 0.1554
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No