Information card for entry 7216604

Structure parameters

• Formula: C108 H99 B4 Cu2 F16 N9 S9
• Calculated formula: C108 H99 B4 Cu2 F16 N9 S9
• 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: 10.5191 ± 0.0004 Å
• b: 17.3144 ± 0.0006 Å
• c: 29.5797 ± 0.001 Å
• α: 90°
• β: 91.455 ± 0.002°
• γ: 90°
• Cell volume: 5385.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1416
• 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