Information card for entry 7203290

Structure parameters

• Formula: C50 H51 Cl2 Cu N4 O9.5 S4
• Calculated formula: C50 H44 Cl2 Cu N4 O9.5 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: 14.7535 ± 0.0008 Å
• b: 10.3848 ± 0.0006 Å
• c: 35.2904 ± 0.0019 Å
• α: 90°
• β: 99.713 ± 0.002°
• γ: 90°
• Cell volume: 5329.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No