Information card for entry 7223169

Structure parameters

• Common name: [Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}
• Formula: C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5
• Calculated formula: C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5
• Title of publication: Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction
• Authors of publication: Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 7816
• a: 36.8971 ± 0.0005 Å
• b: 30.3093 ± 0.0004 Å
• c: 17.87564 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19990.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No