Information card for entry 7017209

Structure parameters

• Formula: C62 H167 Ag8 Br La2 N12 O54 Pd6 S12
• Calculated formula: C62 H111 Ag8 Br La2 N12 O54 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: 24.8446 ± 0.0013 Å
• b: 24.8446 ± 0.0013 Å
• c: 47.2409 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29160 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No