Information card for entry 7016647

Structure parameters

• Formula: C336 H373 Co4 N28 O92 P7 S16
• Calculated formula: C336 H372.04 Co4 N28 O92 P7 S16
• Title of publication: Site specific Co(iii) sarcophagine binding in multi-component phosphonium and p-sulfonatocalix[4]arene systems.
• Authors of publication: Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Skelton, Brian W.; Raston, Colin L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10337 - 10344
• a: 18.2882 ± 0.0007 Å
• b: 20.4581 ± 0.0007 Å
• c: 25.7583 ± 0.0009 Å
• α: 67.104 ± 0.003°
• β: 77.778 ± 0.003°
• γ: 84.702 ± 0.003°
• Cell volume: 8676.2 ± 0.6 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: 0.2503
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.2597
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No