Information card for entry 7001469

Structure parameters

• Formula: C54 H120 Cu6 N12 O16 P6 S12
• Calculated formula: C54 H120 Cu6 N12 O16 P6 S12
• Title of publication: Competitive bulk liquid membrane transport of some metal ions using RC(S)NHP(S)(OiPr)2 as ionophores. Unusual supramolecular “honeycomb” aggregate of the polynuclear copper(I) complex of H2NC(S)NHP(S)(OiPr)2
• Authors of publication: Luckay, R. C.; Sheng, X.; Strasser, C. E.; Raubenheimer, H. G.; Safin, D. A.; Babashkina, M. G.; Klein, A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4646 - 4652
• a: 16.488 ± 0.002 Å
• b: 18.705 ± 0.002 Å
• c: 19.593 ± 0.003 Å
• α: 115.492 ± 0.002°
• β: 95.355 ± 0.002°
• γ: 111.707 ± 0.002°
• Cell volume: 4832.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No