Information card for entry 7203288

Structure parameters

• Formula: C52 H52 B2 Cu F8 N5 O0.5 S4
• Calculated formula: C52 H52 B1.5 Cu F6 N5 O0.5 S4
• Title of publication: New observations of structural diversity in copper(ii) complexes of diphenylsulfimide
• Authors of publication: Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 391
• a: 16.743 ± 0.0006 Å
• b: 20.5911 ± 0.0007 Å
• c: 30.9059 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10655 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No