Information card for entry 7216603

Structure parameters

• Formula: C50 H47 B2 Cu F8 N5 S4
• Calculated formula: C50 H47 B2 Cu F8 N5 S4
• Title of publication: Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate
• Authors of publication: Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 90
• Pages of publication: 545 - 547
• a: 14.6815 ± 0.0005 Å
• b: 10.149 ± 0.0003 Å
• c: 35.2706 ± 0.0011 Å
• α: 90°
• β: 99.88 ± 0.002°
• γ: 90°
• Cell volume: 5177.5 ± 0.3 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: 0.0592
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No