Information card for entry 7018191

Structure parameters

• Formula: C122 H147 Cu19 Li O5 P3 S28 Sn12
• Calculated formula: C122 H147 Cu19 Li O5 P3 S28 Sn12
• Title of publication: A ternary Cu-Sn-S cluster complex-(NBu(4))[Cu(19)S(28)(SnPh)(12)(PEt(2)Ph)(3)].
• Authors of publication: Eichhöfer, Andreas; Jiang, Jijun; Lebedkin, Sergei; Fenske, Dieter; McDonald, Daniel G.; Corrigan, John F.; Su, Cheng-Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 3321 - 3327
• a: 17.333 ± 0.004 Å
• b: 29.58 ± 0.006 Å
• c: 34.687 ± 0.007 Å
• α: 90°
• β: 93.33 ± 0.03°
• γ: 90°
• Cell volume: 17754 ± 7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No