Information card for entry 7016646

Structure parameters

• Formula: C142 H141 Cl2 Co N6 Na2 O37.5 P3 S8
• Calculated formula: C142 H122 Cl2 Co N6 Na O37.5 P3 S8
• 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: 38.578 ± 0.002 Å
• b: 15.6651 ± 0.0011 Å
• c: 30.6281 ± 0.0019 Å
• α: 90°
• β: 95.483 ± 0.006°
• γ: 90°
• Cell volume: 18425 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2324
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2998
• Weighted residual factors for all reflections included in the refinement: 0.3355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.742
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No