Information card for entry 7016648

Structure parameters

• Formula: C92 H115 Cl2 Co N6 O27 P2 S4
• Calculated formula: C92 H93 Cl2 Co N6 O27 P2 S4
• 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: 25.9289 ± 0.0005 Å
• b: 14.8497 ± 0.0003 Å
• c: 27.6134 ± 0.0006 Å
• α: 90°
• β: 96.836 ± 0.002°
• γ: 90°
• Cell volume: 10556.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1892
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.3335
• Weighted residual factors for all reflections included in the refinement: 0.3626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No