Information card for entry 7013135

Structure parameters

• Common name: [(pbnpa)Cu-Cl]ClO4
• Formula: C30 H43 Cl2 Cu N5 O4 S
• Calculated formula: C30 H43 Cl2 Cu N5 O4.001 S
• Title of publication: Evaluation of the influence of a thioether substituent on the solid state and solution properties of N~3~S-ligated copper(II) complexes
• Authors of publication: Tubbs, Kyle J.; Fuller, Amy L.; Bennett, Brian; Arif, Atta M.; Makowska-Grzyska, Magdalena M.; Berreau, Lisa M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3111 - 3116
• a: 11.0077 ± 0.0002 Å
• b: 14.5441 ± 0.0002 Å
• c: 20.7276 ± 0.0005 Å
• α: 90°
• β: 97.4909 ± 0.0007°
• γ: 90°
• Cell volume: 3290.11 ± 0.11 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• 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: 0.0901
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No