Information card for entry 7017212

Structure parameters

• Formula: C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12
• Calculated formula: C60 H109 Cl3 Cu8 La2 N12 O55 Pd6 S12
• Title of publication: Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.
• Authors of publication: Yoshinari, Nobuto; Konno, Takumi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12191 - 12200
• a: 15.319 ± 0.003 Å
• b: 20.976 ± 0.004 Å
• c: 23.667 ± 0.005 Å
• α: 90°
• β: 105.245 ± 0.007°
• γ: 90°
• Cell volume: 7337 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No