Information card for entry 7015112

Structure parameters

• Formula: C15 H30 Cu3 I N6 O S6 W
• Calculated formula: C15 H30 Cu3 I N6 O S6 W
• SMILES: [I-].O=[W]12345[Cu]6([S]1[Cu]3([S]=C1NCCCCN1)[S]5[Cu]2([S]=C1NCCCCN1)[S]46)[S]=C1NCCCCN1
• Title of publication: Synthesis and structural characterization of mixed-metal complexes of Cu(I) with MOS3 cores (M = Mo, W) and of an unusual polymeric AgI/mercaptoimidazole complex with five different Ag(I) coordination environments.
• Authors of publication: Beheshti, Azizollah; Clegg, William; Khorramdin, Rahman; Nobakht, Valiollah; Russo, Luca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2815 - 2821
• a: 12.8515 ± 0.0015 Å
• b: 12.8515 ± 0.0015 Å
• c: 12.8515 ± 0.0015 Å
• α: 61.399 ± 0.017°
• β: 61.399 ± 0.017°
• γ: 61.399 ± 0.017°
• Cell volume: 1548 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No