Information card for entry 7210929

Structure parameters

• Formula: C32 H40 Co N10 O14 S
• Calculated formula: C32 H34 Co N10 O14 S
• Title of publication: Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations
• Authors of publication: Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9472
• a: 30.708 ± 0.002 Å
• b: 6.6182 ± 0.0005 Å
• c: 19.1423 ± 0.0015 Å
• α: 90°
• β: 94.254 ± 0.002°
• γ: 90°
• Cell volume: 3879.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No