Information card for entry 7204822

Structure parameters

• Formula: C52 H54 Cu F12 N4 O P2 S4
• Calculated formula: C52 H54 Cu F12 N4 O P2 S4
• Title of publication: Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2
• Authors of publication: Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 56
• a: 15.37 ± 0.002 Å
• b: 8.7969 ± 0.0012 Å
• c: 20.914 ± 0.003 Å
• α: 90°
• β: 99.398 ± 0.002°
• γ: 90°
• Cell volume: 2789.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No